G811-0596 Screening compound: 2-{1-[4-(methylsulfanyl)phenyl]-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-2-carbonyl}-1H-indole

G811-0596 Screening compound: 2-{1-[4-(methylsulfanyl)phenyl]-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-2-carbonyl}-1H-indole
G811-0596 Screening compound: 2-{1-[4-(methylsulfanyl)phenyl]-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-2-carbonyl}-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound G811-0596
2-{1-[4-(methylsulfanyl)phenyl]-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-2-carbonyl}-1H-indole

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

G811-0596

Molecular Formula

C27H23N3OS (C27 H23 N3 OS)

Compound Name

2-{1-[4-(methylsulfanyl)phenyl]-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-2-carbonyl}-1H-indole

IUPAC name

2-{1-[4-(methylsulfanyl)phenyl]-1H2H3H4H9H-pyrido[34-b]indole-2-carbonyl}-1H-indole

SMILES

CSc1ccc(C(c2c(CC3)c(cccc4)c4[nH]2)N3C(c2cc(cccc3)c3[nH]2)=O)cc1

InChI

InChI=1S/C27H23N3OS/c1-32-19-12-10-17(11-13-19)26-25-21(20-7-3-5-9-23(20)29-25)14-15-30(26)27(31)24-16-18-6-2-4-8-22(18)28-24/h2-13,16,26,28-29H,14-15H2,1H3/t26-/m1/s1

InChI Key

YAVJLMKATQNKSH-AREMUKBSSA-N

MDL Number (MFCD)

MFCD27162939

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.57

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.583

Distribution Coefficient, logD

6.583

Water Solubility, LogSw

-6.70

Polar Surface Area

35.421

Acid Dissociation Constant (pKa)

14.45

Base Dissociation Constant (pKb)

-3.46

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

14.80

G811-0596 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with G811-0596 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G811-0596?
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What is the minimum amount of G811-0596 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G811-0596
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G811-0596
  • 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 G811-0596 available by request