G786-0641 Screening compound: N-methyl-2-[4-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)benzamido]-4H,5H,6H-cyclopenta[b]thiophene-3-carboxamide

G786-0641 Screening compound: N-methyl-2-[4-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)benzamido]-4H,5H,6H-cyclopenta[b]thiophene-3-carboxamide
G786-0641 Screening compound: N-methyl-2-[4-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)benzamido]-4H,5H,6H-cyclopenta[b]thiophene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G786-0641
N-methyl-2-[4-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)benzamido]-4H,5H,6H-cyclopenta[b]thiophene-3-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

G786-0641

Molecular Formula

C25H25N3O4S2 (C25 H25 N3 O4 S2)

Compound Name

N-methyl-2-[4-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)benzamido]-4H,5H,6H-cyclopenta[b]thiophene-3-carboxamide

IUPAC name

N-methyl-2-[4-(1234-tetrahydroisoquinoline-2-sulfonyl)benzamido]-4H5H6H-cyclopenta[b]thiophene-3-carboxamide

SMILES

CNC(c1c(NC(c(cc2)ccc2S(N(CC2)Cc3c2cccc3)(=O)=O)=O)sc2c1CCC2)=O

InChI

InChI=1S/C25H25N3O4S2/c1-26-24(30)22-20-7-4-8-21(20)33-25(22)27-23(29)17-9-11-19(12-10-17)34(31,32)28-14-13-16-5-2-3-6-18(16)15-28/h2-3,5-6,9-12H,4,7-8,13-15H2,1H3,(H,26,30)(H,27,29)

InChI Key

BBZNZICUFVBUEU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05928999

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.62

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.674

Distribution Coefficient, logD

1.045

Water Solubility, LogSw

-4.14

Polar Surface Area

79.619

Acid Dissociation Constant (pKa)

4.77

Base Dissociation Constant (pKb)

-2.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

G786-0641 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Targeted Diversity Library (40567 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with G786-0641 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G786-0641?
Check Price and Availability of G786-0641, 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 G786-0641 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G786-0641
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G786-0641
  • 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 G786-0641 available by request