G281-0406 Screening compound: N~5~-(3-ethoxypropyl)-4-(4-isopropylphenyl)-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carboxamide

G281-0406 Screening compound: N~5~-(3-ethoxypropyl)-4-(4-isopropylphenyl)-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carboxamide
G281-0406 Screening compound: N~5~-(3-ethoxypropyl)-4-(4-isopropylphenyl)-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 G281-0406
N~5~-(3-ethoxypropyl)-4-(4-isopropylphenyl)-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

G281-0406

Molecular Formula

C29H37N3O2S (C29 H37 N3 O2 S)

Compound Name

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

IUPAC name

N-(3-ethoxypropyl)-7-[4-(propan-2-yl)phenyl]-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)C3c1ccc(C(C)C)cc1)=O

InChI

InChI=1S/C29H37N3O2S/c1-4-34-18-8-16-30-29(33)32-19-24-23-9-5-6-11-26(23)35-28(24)31-17-7-10-25(31)27(32)22-14-12-21(13-15-22)20(2)3/h7,10,12-15,17,20,27H,4-6,8-9,11,16,18-19H2,1-3H3,(H,30,33)/t27-/m0/s1

InChI Key

YLULLGOZLOODDN-MHZLTWQESA-N

MDL Number (MFCD)

MFCD14993834

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.7

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.443

Distribution Coefficient, logD

7.443

Water Solubility, LogSw

-5.59

Polar Surface Area

36.356

Acid Dissociation Constant (pKa)

17.78

Base Dissociation Constant (pKb)

-0.75

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

48.30

G281-0406 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with G281-0406 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G281-0406?
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What is the minimum amount of G281-0406 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G281-0406
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G281-0406
  • 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 G281-0406 available by request