G281-1941 Screening compound: 4-(4-chlorophenyl)-N-cyclohexyl-9-methyl-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

G281-1941 Screening compound: 4-(4-chlorophenyl)-N-cyclohexyl-9-methyl-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
G281-1941 Screening compound: 4-(4-chlorophenyl)-N-cyclohexyl-9-methyl-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 G281-1941
4-(4-chlorophenyl)-N-cyclohexyl-9-methyl-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

G281-1941

Molecular Formula

C27H31ClN4OS (C27 H31 ClN4 OS)

Compound Name

4-(4-chlorophenyl)-N-cyclohexyl-9-methyl-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

7-(4-chlorophenyl)-N-cyclohexyl-14-methyl-17-thia-2814-triazatetracyclo[8.7.0.0^{26}.0^{1116}]heptadeca-1(10)3511(16)-tetraene-8-carboxamide

SMILES

CN(CC1)Cc2c1c(CN(C(c1cccn1-1)c(cc3)ccc3Cl)C(NC3CCCCC3)=O)c1s2

InChI

InChI=1S/C27H31ClN4OS/c1-30-15-13-21-22-16-32(27(33)29-20-6-3-2-4-7-20)25(18-9-11-19(28)12-10-18)23-8-5-14-31(23)26(22)34-24(21)17-30/h5,8-12,14,20,25H,2-4,6-7,13,15-17H2,1H3,(H,29,33)/t25-/m1/s1

InChI Key

APNVMHPVLPAPBW-RUZDIDTESA-N

MDL Number (MFCD)

MFCD27212612

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.09

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.469

Distribution Coefficient, logD

4.705

Water Solubility, LogSw

-6.37

Polar Surface Area

31.401

Acid Dissociation Constant (pKa)

17.74

Base Dissociation Constant (pKb)

9.16

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.44

G281-1941 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-infective Library (19449 compounds)

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

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

New Agro Library (44492 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
Agro:
  • Agro
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with G281-1941 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G281-1941?
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What is the minimum amount of G281-1941 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G281-1941
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G281-1941
  • 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 G281-1941 available by request