G281-0297 Screening compound: N~5~-(2,5-difluorophenyl)-4-[4-(methylsulfanyl)phenyl]-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carboxamide

G281-0297 Screening compound: N~5~-(2,5-difluorophenyl)-4-[4-(methylsulfanyl)phenyl]-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carboxamide
G281-0297 Screening compound: N~5~-(2,5-difluorophenyl)-4-[4-(methylsulfanyl)phenyl]-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 G281-0297
N~5~-(2,5-difluorophenyl)-4-[4-(methylsulfanyl)phenyl]-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

G281-0297

Molecular Formula

C28H25F2N3OS2 (C28 H25 F2 N3 OS2)

Compound Name

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

IUPAC name

N-(25-difluorophenyl)-7-[4-(methylsulfanyl)phenyl]-17-thia-28-diazatetracyclo[8.7.0.0^{26}.0^{1116}]heptadeca-1(10)3511(16)-tetraene-8-carboxamide

SMILES

CSc1ccc(C(c2cccn2-c2c(C3)c(CCCC4)c4s2)N3C(Nc(cc(cc2)F)c2F)=O)cc1

InChI

InChI=1S/C28H25F2N3OS2/c1-35-19-11-8-17(9-12-19)26-24-6-4-14-32(24)27-21(20-5-2-3-7-25(20)36-27)16-33(26)28(34)31-23-15-18(29)10-13-22(23)30/h4,6,8-15,26H,2-3,5,7,16H2,1H3,(H,31,34)/t26-/m0/s1

InChI Key

KOMGLPXRZZDPQT-SANMLTNESA-N

MDL Number (MFCD)

MFCD14993813

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

521.65

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

8.146

Distribution Coefficient, logD

8.146

Water Solubility, LogSw

-5.67

Polar Surface Area

26.245

Acid Dissociation Constant (pKa)

11.02

Base Dissociation Constant (pKb)

-2.86

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

G281-0297 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 G281-0297 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G281-0297?
Check Price and Availability of G281-0297, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of G281-0297 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G281-0297
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G281-0297
  • 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 G281-0297 available by request