C201-1797 Screening compound: 2-({2-[benzyl(methyl)amino]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl}sulfanyl)-N-(4-butylphenyl)acetamide

C201-1797 Screening compound: 2-({2-[benzyl(methyl)amino]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl}sulfanyl)-N-(4-butylphenyl)acetamide
C201-1797 Screening compound: 2-({2-[benzyl(methyl)amino]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl}sulfanyl)-N-(4-butylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C201-1797
2-({2-[benzyl(methyl)amino]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl}sulfanyl)-N-(4-butylphenyl)acetamide

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

C201-1797

Molecular Formula

C25H27N5OS2 (C25 H27 N5 OS2)

Compound Name

2-({2-[benzyl(methyl)amino]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl}sulfanyl)-N-(4-butylphenyl)acetamide

IUPAC name

2-({2-[benzyl(methyl)amino]-[13]thiazolo[45-d]pyrimidin-7-yl}sulfanyl)-N-(4-butylphenyl)acetamide

SMILES

CCCCc(cc1)ccc1NC(CSc1c2sc(N(C)Cc3ccccc3)nc2ncn1)=O

InChI

InChI=1S/C25H27N5OS2/c1-3-4-8-18-11-13-20(14-12-18)28-21(31)16-32-24-22-23(26-17-27-24)29-25(33-22)30(2)15-19-9-6-5-7-10-19/h5-7,9-14,17H,3-4,8,15-16H2,1-2H3,(H,28,31)

InChI Key

MJWXOAISEPGRSH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26963192

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.65

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.753

Distribution Coefficient, logD

6.753

Water Solubility, LogSw

-5.66

Polar Surface Area

56.874

Acid Dissociation Constant (pKa)

12.62

Base Dissociation Constant (pKb)

1.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

C201-1797 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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 C201-1797 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C201-1797?
Check Price and Availability of C201-1797, 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 C201-1797 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C201-1797
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C201-1797
  • 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 C201-1797 available by request