G281-0899 Screening compound: ethyl 2-({[4-(3,5-difluorophenyl)-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepin-5(6H)-yl]carbonyl}amino)acetate

G281-0899 Screening compound: ethyl 2-({[4-(3,5-difluorophenyl)-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepin-5(6H)-yl]carbonyl}amino)acetate
G281-0899 Screening compound: ethyl 2-({[4-(3,5-difluorophenyl)-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepin-5(6H)-yl]carbonyl}amino)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound G281-0899
ethyl 2-({[4-(3,5-difluorophenyl)-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepin-5(6H)-yl]carbonyl}amino)acetate

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

G281-0899

Molecular Formula

C25H25F2N3O3S (C25 H25 F2 N3 O3 S)

Compound Name

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

IUPAC name

ethyl 2-{[7-(35-difluorophenyl)-17-thia-28-diazatetracyclo[8.7.0.0^{26}.0^{1116}]heptadeca-1(10)3511(16)-tetraene-8-carbonyl]amino}acetate

SMILES

CCOC(CNC(N(Cc1c(-n2c3ccc2)sc2c1CCCC2)C3c1cc(F)cc(F)c1)=O)=O

InChI

InChI=1S/C25H25F2N3O3S/c1-2-33-22(31)13-28-25(32)30-14-19-18-6-3-4-8-21(18)34-24(19)29-9-5-7-20(29)23(30)15-10-16(26)12-17(27)11-15/h5,7,9-12,23H,2-4,6,8,13-14H2,1H3,(H,28,32)/t23-/m0/s1

InChI Key

MMGYMCKKMISCNA-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD14994064

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.55

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

5.673

Distribution Coefficient, logD

5.673

Water Solubility, LogSw

-5.28

Polar Surface Area

48.696

Acid Dissociation Constant (pKa)

16.06

Base Dissociation Constant (pKb)

-2.86

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.00

G281-0899 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 G281-0899 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G281-0899?
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What is the minimum amount of G281-0899 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G281-0899
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G281-0899
  • 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 G281-0899 available by request