K285-0137 Screening compound: ethyl 2-{[(butylcarbamoyl)methyl]sulfanyl}-3-[2-(3,4-dimethoxyphenyl)ethyl]-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate

K285-0137 Screening compound: ethyl 2-{[(butylcarbamoyl)methyl]sulfanyl}-3-[2-(3,4-dimethoxyphenyl)ethyl]-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate
K285-0137 Screening compound: ethyl 2-{[(butylcarbamoyl)methyl]sulfanyl}-3-[2-(3,4-dimethoxyphenyl)ethyl]-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K285-0137
ethyl 2-{[(butylcarbamoyl)methyl]sulfanyl}-3-[2-(3,4-dimethoxyphenyl)ethyl]-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate

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

K285-0137

Molecular Formula

C26H33N3O6S2 (C26 H33 N3 O6 S2)

Compound Name

ethyl 2-{[(butylcarbamoyl)methyl]sulfanyl}-3-[2-(3,4-dimethoxyphenyl)ethyl]-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate

IUPAC name

ethyl 2-{[(butylcarbamoyl)methyl]sulfanyl}-3-[2-(34-dimethoxyphenyl)ethyl]-5-methyl-4-oxo-3H4H-thieno[23-d]pyrimidine-6-carboxylate

SMILES

CCCCNC(CSC(N1CCc(cc2)cc(OC)c2OC)=Nc(sc(C(OCC)=O)c2C)c2C1=O)=O

InChI

InChI=1S/C26H33N3O6S2/c1-6-8-12-27-20(30)15-36-26-28-23-21(16(3)22(37-23)25(32)35-7-2)24(31)29(26)13-11-17-9-10-18(33-4)19(14-17)34-5/h9-10,14H,6-8,11-13,15H2,1-5H3,(H,27,30)

InChI Key

AOSIILFRUJWASC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02651287

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

547.7

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

15.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.915

Distribution Coefficient, logD

3.915

Water Solubility, LogSw

-4.08

Polar Surface Area

86.251

Acid Dissociation Constant (pKa)

15.36

Base Dissociation Constant (pKb)

-0.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.20

K285-0137 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with K285-0137 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K285-0137?
Check Price and Availability of K285-0137, 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 K285-0137 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K285-0137
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K285-0137
  • 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 K285-0137 available by request