K292-2097 Screening compound: ethyl 4-(2-{[4-oxo-3-(3-{[2-(4-sulfamoylphenyl)ethyl]carbamoyl}propyl)-3H,4H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}butanamido)benzoate

K292-2097 Screening compound: ethyl 4-(2-{[4-oxo-3-(3-{[2-(4-sulfamoylphenyl)ethyl]carbamoyl}propyl)-3H,4H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}butanamido)benzoate
K292-2097 Screening compound: ethyl 4-(2-{[4-oxo-3-(3-{[2-(4-sulfamoylphenyl)ethyl]carbamoyl}propyl)-3H,4H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}butanamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound K292-2097
ethyl 4-(2-{[4-oxo-3-(3-{[2-(4-sulfamoylphenyl)ethyl]carbamoyl}propyl)-3H,4H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}butanamido)benzoate

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

K292-2097

Molecular Formula

C31H35N5O7S3 (C31 H35 N5 O7 S3)

Compound Name

ethyl 4-(2-{[4-oxo-3-(3-{[2-(4-sulfamoylphenyl)ethyl]carbamoyl}propyl)-3H,4H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}butanamido)benzoate

IUPAC name

ethyl 4-(2-{[4-oxo-3-(3-{[2-(4-sulfamoylphenyl)ethyl]carbamoyl}propyl)-3H4H-thieno[32-d]pyrimidin-2-yl]sulfanyl}butanamido)benzoate

SMILES

CCC(C(Nc(cc1)ccc1C(OCC)=O)=O)SC(N(CCCC(NCCc(cc1)ccc1S(N)(=O)=O)=O)C1=O)=Nc2c1scc2

InChI

InChI=1S/C31H35N5O7S3/c1-3-25(28(38)34-22-11-9-21(10-12-22)30(40)43-4-2)45-31-35-24-16-19-44-27(24)29(39)36(31)18-5-6-26(37)33-17-15-20-7-13-23(14-8-20)46(32,41)42/h7-14,16,19,25H,3-6,15,17-18H2,1-2H3,(H,33,37)(H,34,38)(H2,32,41,42)/t25-/m0/s1

InChI Key

XPLBOWWVEZNRPE-VWLOTQADSA-N

MDL Number (MFCD)

MFCD15092230

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

685.85

Hydrogen Bond Acceptors Count

16.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

18.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

3.024

Distribution Coefficient, logD

3.023

Water Solubility, LogSw

-3.70

Polar Surface Area

145.800

Acid Dissociation Constant (pKa)

10.18

Base Dissociation Constant (pKb)

0.72

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.30

K292-2097 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with K292-2097 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K292-2097?
Check Price and Availability of K292-2097, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of K292-2097 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K292-2097
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K292-2097
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of K292-2097 available by request