2712-2592 Screening compound: N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-N-(4-tert-butylbenzenesulfonyl)pyridine-4-carboxamide

2712-2592 Screening compound: N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-N-(4-tert-butylbenzenesulfonyl)pyridine-4-carboxamide
2712-2592 Screening compound: N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-N-(4-tert-butylbenzenesulfonyl)pyridine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2712-2592
N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-N-(4-tert-butylbenzenesulfonyl)pyridine-4-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

2712-2592

Molecular Formula

C27H26N2O5S (C27 H26 N2 O5 S)

Compound Name

N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-N-(4-tert-butylbenzenesulfonyl)pyridine-4-carboxamide

IUPAC name

n/a

SMILES

CC(C)(C)c(cc1)ccc1S(N(C(c1ccncc1)=O)c(cc1)cc2c1oc(C)c2C(C)=O)(=O)=O

InChI

InChI=1S/C27H26N2O5S/c1-17(30)25-18(2)34-24-11-8-21(16-23(24)25)29(26(31)19-12-14-28-15-13-19)35(32,33)22-9-6-20(7-10-22)27(3,4)5/h6-16H,1-5H3

InChI Key

QSWCOHMMKRVAQM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02084698

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.58

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.923

Distribution Coefficient, logD

4.923

Water Solubility, LogSw

-4.81

Polar Surface Area

76.749

Acid Dissociation Constant (pKa)

21.32

Base Dissociation Constant (pKb)

2.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

2712-2592 in Drug Discovery

Included in Screening Libraries

Neuropeptide S Library (2850 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Nervous system
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 2712-2592 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2712-2592?
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What is the minimum amount of 2712-2592 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2712-2592
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2712-2592
  • 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 2712-2592 available by request