G281-1437 Screening compound: ethyl 3-({[4-isopropyl-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepin-5(6H)-yl]carbonyl}amino)benzoate

G281-1437 Screening compound: ethyl 3-({[4-isopropyl-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepin-5(6H)-yl]carbonyl}amino)benzoate
G281-1437 Screening compound: ethyl 3-({[4-isopropyl-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepin-5(6H)-yl]carbonyl}amino)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G281-1437
ethyl 3-({[4-isopropyl-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepin-5(6H)-yl]carbonyl}amino)benzoate

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

G281-1437

Molecular Formula

C27H31N3O3S (C27 H31 N3 O3 S)

Compound Name

ethyl 3-({[4-isopropyl-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepin-5(6H)-yl]carbonyl}amino)benzoate

IUPAC name

ethyl 3-{[7-(propan-2-yl)-17-thia-28-diazatetracyclo[8.7.0.0^{26}.0^{1116}]heptadeca-1(10)3511(16)-tetraene-8-carbonyl]amino}benzoate

SMILES

CCOC(c1cccc(NC(N(C2)C(C(C)C)c3cccn3-c3c2c(CCCC2)c2s3)=O)c1)=O

InChI

InChI=1S/C27H31N3O3S/c1-4-33-26(31)18-9-7-10-19(15-18)28-27(32)30-16-21-20-11-5-6-13-23(20)34-25(21)29-14-8-12-22(29)24(30)17(2)3/h7-10,12,14-15,17,24H,4-6,11,13,16H2,1-3H3,(H,28,32)/t24-/m1/s1

InChI Key

QHBHUXQSAXHOBA-XMMPIXPASA-N

MDL Number (MFCD)

MFCD27212522

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.63

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

7.124

Distribution Coefficient, logD

7.124

Water Solubility, LogSw

-5.56

Polar Surface Area

47.969

Acid Dissociation Constant (pKa)

13.97

Base Dissociation Constant (pKb)

-1.48

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.70

G281-1437 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 G281-1437 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G281-1437?
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What is the minimum amount of G281-1437 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G281-1437
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G281-1437
  • 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 G281-1437 available by request