G281-1236 Screening compound: 4-(3-ethoxyphenyl)-N~5~-(3-ethoxypropyl)-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carboxamide

G281-1236 Screening compound: 4-(3-ethoxyphenyl)-N~5~-(3-ethoxypropyl)-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carboxamide
G281-1236 Screening compound: 4-(3-ethoxyphenyl)-N~5~-(3-ethoxypropyl)-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 G281-1236
4-(3-ethoxyphenyl)-N~5~-(3-ethoxypropyl)-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

G281-1236

Molecular Formula

C28H35N3O3S (C28 H35 N3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCOCCCNC(N(Cc1c(-n2c3ccc2)sc2c1CCCC2)C3c1cc(OCC)ccc1)=O

InChI

InChI=1S/C28H35N3O3S/c1-3-33-17-9-15-29-28(32)31-19-23-22-12-5-6-14-25(22)35-27(23)30-16-8-13-24(30)26(31)20-10-7-11-21(18-20)34-4-2/h7-8,10-11,13,16,18,26H,3-6,9,12,14-15,17,19H2,1-2H3,(H,29,32)/t26-/m0/s1

InChI Key

SSPBXRTUHUCAKA-SANMLTNESA-N

MDL Number (MFCD)

MFCD27212515

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.67

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.513

Distribution Coefficient, logD

6.513

Water Solubility, LogSw

-5.57

Polar Surface Area

43.479

Acid Dissociation Constant (pKa)

17.78

Base Dissociation Constant (pKb)

-0.75

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.40

G281-1236 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

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

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • 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 G281-1236 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G281-1236?
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What is the minimum amount of G281-1236 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G281-1236
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G281-1236
  • 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 G281-1236 available by request