G281-2486 Screening compound: N~5~-(3,4-dimethoxyphenyl)-4-(4-fluorophenyl)-9-methyl-7,8,9,10-tetrahydro-4H-pyrido[4',3':4,5]thieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carboxamide

G281-2486 Screening compound: N~5~-(3,4-dimethoxyphenyl)-4-(4-fluorophenyl)-9-methyl-7,8,9,10-tetrahydro-4H-pyrido[4',3':4,5]thieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carboxamide
G281-2486 Screening compound: N~5~-(3,4-dimethoxyphenyl)-4-(4-fluorophenyl)-9-methyl-7,8,9,10-tetrahydro-4H-pyrido[4',3':4,5]thieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G281-2486
N~5~-(3,4-dimethoxyphenyl)-4-(4-fluorophenyl)-9-methyl-7,8,9,10-tetrahydro-4H-pyrido[4',3':4,5]thieno[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

G281-2486

Molecular Formula

C29H29FN4O3S (C29 H29 FN4 O3 S)

Compound Name

N~5~-(3,4-dimethoxyphenyl)-4-(4-fluorophenyl)-9-methyl-7,8,9,10-tetrahydro-4H-pyrido[4',3':4,5]thieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carboxamide

IUPAC name

N-(34-dimethoxyphenyl)-7-(4-fluorophenyl)-14-methyl-17-thia-2814-triazatetracyclo[8.7.0.0^{26}.0^{1116}]heptadeca-1(10)3511(16)-tetraene-8-carboxamide

SMILES

CN(CC1)Cc2c1c(CN(C(c1cccn1-1)c(cc3)ccc3F)C(Nc(cc3)cc(OC)c3OC)=O)c1s2

InChI

InChI=1S/C29H29FN4O3S/c1-32-14-12-21-22-16-34(29(35)31-20-10-11-24(36-2)25(15-20)37-3)27(18-6-8-19(30)9-7-18)23-5-4-13-33(23)28(22)38-26(21)17-32/h4-11,13,15,27H,12,14,16-17H2,1-3H3,(H,31,35)/t27-/m0/s1

InChI Key

SKXOSTVABMORAA-MHZLTWQESA-N

MDL Number (MFCD)

MFCD27212682

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

532.64

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.078

Distribution Coefficient, logD

3.314

Water Solubility, LogSw

-4.85

Polar Surface Area

45.614

Acid Dissociation Constant (pKa)

13.48

Base Dissociation Constant (pKb)

9.16

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.60

G281-2486 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 G281-2486 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G281-2486?
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What is the minimum amount of G281-2486 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G281-2486
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G281-2486
  • 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 G281-2486 available by request