G281-1578 Screening compound: N~5~-(2-methoxyphenyl)-4-methyl-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carboxamide

G281-1578 Screening compound: N~5~-(2-methoxyphenyl)-4-methyl-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carboxamide
G281-1578 Screening compound: N~5~-(2-methoxyphenyl)-4-methyl-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 G281-1578
N~5~-(2-methoxyphenyl)-4-methyl-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

G281-1578

Molecular Formula

C23H25N3O2S (C23 H25 N3 O2 S)

Compound Name

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

IUPAC name

N-(2-methoxyphenyl)-7-methyl-17-thia-28-diazatetracyclo[8.7.0.0^{26}.0^{1116}]heptadeca-1(10)3511(16)-tetraene-8-carboxamide

SMILES

CC(c1cccn1-c1c(C2)c(CCCC3)c3s1)N2C(Nc(cccc1)c1OC)=O

InChI

InChI=1S/C23H25N3O2S/c1-15-19-10-7-13-25(19)22-17(16-8-3-6-12-21(16)29-22)14-26(15)23(27)24-18-9-4-5-11-20(18)28-2/h4-5,7,9-11,13,15H,3,6,8,12,14H2,1-2H3,(H,24,27)/t15-/m1/s1

InChI Key

ILSZAEZEAQRWIA-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD27212554

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.54

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.529

Distribution Coefficient, logD

5.529

Water Solubility, LogSw

-5.34

Polar Surface Area

33.738

Acid Dissociation Constant (pKa)

13.10

Base Dissociation Constant (pKb)

-1.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.80

G281-1578 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Developmental Pathway (Hh/Wnt) Set (2238 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Therapeutical areas:
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Others
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with G281-1578 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G281-1578?
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What is the minimum amount of G281-1578 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G281-1578
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G281-1578
  • 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 G281-1578 available by request