G540-1078 Screening compound: 5-(4-chlorophenyl)-N-[(2,4-dimethoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine

G540-1078 Screening compound: 5-(4-chlorophenyl)-N-[(2,4-dimethoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
G540-1078 Screening compound: 5-(4-chlorophenyl)-N-[(2,4-dimethoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound G540-1078
5-(4-chlorophenyl)-N-[(2,4-dimethoxyphenyl)methyl]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

G540-1078

Molecular Formula

C21H18ClN3O2S (C21 H18 ClN3 O2 S)

Compound Name

5-(4-chlorophenyl)-N-[(2,4-dimethoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine

IUPAC name

5-(4-chlorophenyl)-N-[(24-dimethoxyphenyl)methyl]thieno[23-d]pyrimidin-4-amine

SMILES

COc1cc(OC)c(CNc2c(c(-c(cc3)ccc3Cl)cs3)c3ncn2)cc1

InChI

InChI=1S/C21H18ClN3O2S/c1-26-16-8-5-14(18(9-16)27-2)10-23-20-19-17(11-28-21(19)25-12-24-20)13-3-6-15(22)7-4-13/h3-9,11-12H,10H2,1-2H3,(H,23,24,25)

InChI Key

RLDZNDKTERCSRX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15017612

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.91

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.584

Distribution Coefficient, logD

5.582

Water Solubility, LogSw

-6.14

Polar Surface Area

46.930

Acid Dissociation Constant (pKa)

18.15

Base Dissociation Constant (pKb)

4.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

G540-1078 in Drug Discovery

Included in Screening Libraries

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

MCL1 Targeted Library (12200 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Immune system
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with G540-1078 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G540-1078?
Check Price and Availability of G540-1078, 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 G540-1078 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G540-1078
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G540-1078
  • 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 G540-1078 available by request