G281-1147 Screening compound: N~5~-benzyl-4-(3-methoxyphenyl)-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carboxamide

G281-1147 Screening compound: N~5~-benzyl-4-(3-methoxyphenyl)-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carboxamide
G281-1147 Screening compound: N~5~-benzyl-4-(3-methoxyphenyl)-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G281-1147
N~5~-benzyl-4-(3-methoxyphenyl)-7,8,9,10-tetrahydro-4H-[1]benzothieno[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

G281-1147

Molecular Formula

C29H29N3O2S (C29 H29 N3 O2 S)

Compound Name

N~5~-benzyl-4-(3-methoxyphenyl)-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carboxamide

IUPAC name

N-benzyl-7-(3-methoxyphenyl)-17-thia-28-diazatetracyclo[8.7.0.0^{26}.0^{1116}]heptadeca-1(10)3511(16)-tetraene-8-carboxamide

SMILES

COc1cccc(C(c2cccn2-c2c(C3)c(CCCC4)c4s2)N3C(NCc2ccccc2)=O)c1

InChI

InChI=1S/C29H29N3O2S/c1-34-22-12-7-11-21(17-22)27-25-14-8-16-31(25)28-24(23-13-5-6-15-26(23)35-28)19-32(27)29(33)30-18-20-9-3-2-4-10-20/h2-4,7-12,14,16-17,27H,5-6,13,15,18-19H2,1H3,(H,30,33)/t27-/m0/s1

InChI Key

FKWLNIUSGRJRSQ-MHZLTWQESA-N

MDL Number (MFCD)

MFCD27212509

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.63

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.647

Distribution Coefficient, logD

6.647

Water Solubility, LogSw

-5.65

Polar Surface Area

35.809

Acid Dissociation Constant (pKa)

15.27

Base Dissociation Constant (pKb)

-2.73

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.60

G281-1147 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

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

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with G281-1147 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G281-1147?
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What is the minimum amount of G281-1147 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G281-1147
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G281-1147
  • 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 G281-1147 available by request