G786-0940 Screening compound: N-[2-(1,3-benzodioxol-5-yl)ethyl]-N-(2-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)amine

G786-0940 Screening compound: N-[2-(1,3-benzodioxol-5-yl)ethyl]-N-(2-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)amine
G786-0940 Screening compound: N-[2-(1,3-benzodioxol-5-yl)ethyl]-N-(2-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)amine alternative view

Chemical Structure Depiction of ChemDiv screening compound G786-0940
N-[2-(1,3-benzodioxol-5-yl)ethyl]-N-(2-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)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

G786-0940

Molecular Formula

C20H21N3O2S (C20 H21 N3 O2 S)

Compound Name

N-[2-(1,3-benzodioxol-5-yl)ethyl]-N-(2-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)amine

IUPAC name

N-[2-(2H-13-benzodioxol-5-yl)ethyl]-5-methyl-8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)35-tetraen-3-amine

SMILES

Cc1nc(NCCc(cc2)cc3c2OCO3)c(c(CCCC2)c2s2)c2n1

InChI

InChI=1S/C20H21N3O2S/c1-12-22-19(18-14-4-2-3-5-17(14)26-20(18)23-12)21-9-8-13-6-7-15-16(10-13)25-11-24-15/h6-7,10H,2-5,8-9,11H2,1H3,(H,21,22,23)

InChI Key

AACBGABXHZUTEM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05022285

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.47

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.691

Distribution Coefficient, logD

4.586

Water Solubility, LogSw

-4.70

Polar Surface Area

47.279

Acid Dissociation Constant (pKa)

16.24

Base Dissociation Constant (pKb)

6.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

G786-0940 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Immune system
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with G786-0940 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G786-0940?
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What is the minimum amount of G786-0940 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G786-0940
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G786-0940
  • 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 G786-0940 available by request