G540-0881 Screening compound: 5-(4-chlorophenyl)-N-[4-(propan-2-yl)phenyl]thieno[2,3-d]pyrimidin-4-amine

G540-0881 Screening compound: 5-(4-chlorophenyl)-N-[4-(propan-2-yl)phenyl]thieno[2,3-d]pyrimidin-4-amine
G540-0881 Screening compound: 5-(4-chlorophenyl)-N-[4-(propan-2-yl)phenyl]thieno[2,3-d]pyrimidin-4-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound G540-0881
5-(4-chlorophenyl)-N-[4-(propan-2-yl)phenyl]thieno[2,3-d]pyrimidin-4-amine

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

G540-0881

Molecular Formula

C21H18ClN3S (C21 H18 ClN3 S)

Compound Name

5-(4-chlorophenyl)-N-[4-(propan-2-yl)phenyl]thieno[2,3-d]pyrimidin-4-amine

IUPAC name

5-(4-chlorophenyl)-N-[4-(propan-2-yl)phenyl]thieno[23-d]pyrimidin-4-amine

SMILES

CC(C)c(cc1)ccc1Nc1c(c(-c(cc2)ccc2Cl)cs2)c2ncn1

InChI

InChI=1S/C21H18ClN3S/c1-13(2)14-5-9-17(10-6-14)25-20-19-18(11-26-21(19)24-12-23-20)15-3-7-16(22)8-4-15/h3-13H,1-2H3,(H,23,24,25)

InChI Key

LMUCCYYUFZENDU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09060328

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.91

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

7.132

Distribution Coefficient, logD

7.132

Water Solubility, LogSw

-6.97

Polar Surface Area

30.434

Acid Dissociation Constant (pKa)

18.70

Base Dissociation Constant (pKb)

4.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

G540-0881 in Drug Discovery

Included in Screening Libraries

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

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with G540-0881 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G540-0881?
Check Price and Availability of G540-0881, 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 G540-0881 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G540-0881
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G540-0881
  • 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 G540-0881 available by request