G281-1687 Screening compound: N~5~-(2-bromophenyl)-4,9-dimethyl-7,8,9,10-tetrahydro-4H-pyrido[4',3':4,5]thieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carboxamide

G281-1687 Screening compound: N~5~-(2-bromophenyl)-4,9-dimethyl-7,8,9,10-tetrahydro-4H-pyrido[4',3':4,5]thieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carboxamide
G281-1687 Screening compound: N~5~-(2-bromophenyl)-4,9-dimethyl-7,8,9,10-tetrahydro-4H-pyrido[4',3':4,5]thieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G281-1687
N~5~-(2-bromophenyl)-4,9-dimethyl-7,8,9,10-tetrahydro-4H-pyrido[4',3':4,5]thieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carboxamide

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

G281-1687

Molecular Formula

C22H23BrN4OS (C22 H23 BrN4 OS)

Compound Name

N~5~-(2-bromophenyl)-4,9-dimethyl-7,8,9,10-tetrahydro-4H-pyrido[4',3':4,5]thieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carboxamide

IUPAC name

N-(2-bromophenyl)-714-dimethyl-17-thia-2814-triazatetracyclo[8.7.0.0^{26}.0^{1116}]heptadeca-1(10)3511(16)-tetraene-8-carboxamide

SMILES

CC(c1cccn1-c1c(C2)c(CCN(C)C3)c3s1)N2C(Nc(cccc1)c1Br)=O

InChI

InChI=1S/C22H23BrN4OS/c1-14-19-8-5-10-26(19)21-16(15-9-11-25(2)13-20(15)29-21)12-27(14)22(28)24-18-7-4-3-6-17(18)23/h3-8,10,14H,9,11-13H2,1-2H3,(H,24,28)/t14-/m0/s1

InChI Key

ZRACUTJZZHTZKZ-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD27212590

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.42

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.689

Distribution Coefficient, logD

2.925

Water Solubility, LogSw

-4.24

Polar Surface Area

29.518

Acid Dissociation Constant (pKa)

13.57

Base Dissociation Constant (pKb)

9.16

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.80

G281-1687 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

CNS BBB Library (22607 compounds)

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Developmental Pathway (Hh/Wnt) Set (2238 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Nervous system
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
  • Others
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with G281-1687 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G281-1687?
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What is the minimum amount of G281-1687 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G281-1687
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G281-1687
  • 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 G281-1687 available by request