G281-1521 Screening compound: dimethyl 2-({[4-ethyl-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepin-5(6H)-yl]carbonyl}amino)terephthalate

G281-1521 Screening compound: dimethyl 2-({[4-ethyl-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepin-5(6H)-yl]carbonyl}amino)terephthalate
G281-1521 Screening compound: dimethyl 2-({[4-ethyl-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepin-5(6H)-yl]carbonyl}amino)terephthalate alternative view

Chemical Structure Depiction of ChemDiv screening compound G281-1521
dimethyl 2-({[4-ethyl-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepin-5(6H)-yl]carbonyl}amino)terephthalate

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

G281-1521

Molecular Formula

C27H29N3O5S (C27 H29 N3 O5 S)

Compound Name

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

IUPAC name

14-dimethyl 2-({7-ethyl-17-thia-28-diazatetracyclo[8.7.0.0^{26}.0^{1116}]heptadeca-1(10)3511(16)-tetraene-8-carbonyl}amino)benzene-14-dicarboxylate

SMILES

CCC(c1cccn1-c1c(C2)c(CCCC3)c3s1)N2C(Nc(cc(cc1)C(OC)=O)c1C(OC)=O)=O

InChI

InChI=1S/C27H29N3O5S/c1-4-21-22-9-7-13-29(22)24-19(17-8-5-6-10-23(17)36-24)15-30(21)27(33)28-20-14-16(25(31)34-2)11-12-18(20)26(32)35-3/h7,9,11-14,21H,4-6,8,10,15H2,1-3H3,(H,28,33)/t21-/m1/s1

InChI Key

AWZWCFOMFBMXHV-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD14994371

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

507.61

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.226

Distribution Coefficient, logD

6.225

Water Solubility, LogSw

-5.44

Polar Surface Area

68.817

Acid Dissociation Constant (pKa)

10.06

Base Dissociation Constant (pKb)

-3.49

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.00

G281-1521 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Protein-Protein Interaction Library (218420 compounds)

SH2 Library (10483 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with G281-1521 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G281-1521?
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What is the minimum amount of G281-1521 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G281-1521
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G281-1521
  • 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 G281-1521 available by request