G281-1300 Screening compound: N~5~-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-methylphenyl)-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carboxamide

G281-1300 Screening compound: N~5~-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-methylphenyl)-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carboxamide
G281-1300 Screening compound: N~5~-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-methylphenyl)-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 G281-1300
N~5~-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-methylphenyl)-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

G281-1300

Molecular Formula

C30H29N3O3S (C30 H29 N3 O3 S)

Compound Name

N~5~-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-methylphenyl)-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carboxamide

IUPAC name

N-(23-dihydro-14-benzodioxin-6-yl)-7-(3-methylphenyl)-17-thia-28-diazatetracyclo[8.7.0.0^{26}.0^{1116}]heptadeca-1(10)3511(16)-tetraene-8-carboxamide

SMILES

Cc1cccc(C(c2cccn2-c2c(C3)c(CCCC4)c4s2)N3C(Nc(cc2)cc3c2OCCO3)=O)c1

InChI

InChI=1S/C30H29N3O3S/c1-19-6-4-7-20(16-19)28-24-9-5-13-32(24)29-23(22-8-2-3-10-27(22)37-29)18-33(28)30(34)31-21-11-12-25-26(17-21)36-15-14-35-25/h4-7,9,11-13,16-17,28H,2-3,8,10,14-15,18H2,1H3,(H,31,34)/t28-/m0/s1

InChI Key

XDPKBPFBLZMPRX-NDEPHWFRSA-N

MDL Number (MFCD)

MFCD14994250

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

511.64

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.374

Distribution Coefficient, logD

6.374

Water Solubility, LogSw

-5.40

Polar Surface Area

42.766

Acid Dissociation Constant (pKa)

13.48

Base Dissociation Constant (pKb)

-0.08

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

G281-1300 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with G281-1300 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G281-1300?
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What is the minimum amount of G281-1300 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G281-1300
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G281-1300
  • 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 G281-1300 available by request