3461-3184 Screening compound: ethyl 5-[N-(4-chlorobenzenesulfonyl)pyridine-4-amido]-2-phenyl-1-benzofuran-3-carboxylate

3461-3184 Screening compound: ethyl 5-[N-(4-chlorobenzenesulfonyl)pyridine-4-amido]-2-phenyl-1-benzofuran-3-carboxylate
3461-3184 Screening compound: ethyl 5-[N-(4-chlorobenzenesulfonyl)pyridine-4-amido]-2-phenyl-1-benzofuran-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3461-3184
ethyl 5-[N-(4-chlorobenzenesulfonyl)pyridine-4-amido]-2-phenyl-1-benzofuran-3-carboxylate

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

3461-3184

Molecular Formula

C29H21ClN2O6S (C29 H21 ClN2 O6 S)

Compound Name

ethyl 5-[N-(4-chlorobenzenesulfonyl)pyridine-4-amido]-2-phenyl-1-benzofuran-3-carboxylate

IUPAC name

ethyl 5-[N-(4-chlorobenzenesulfonyl)pyridine-4-amido]-2-phenyl-1-benzofuran-3-carboxylate

SMILES

CCOC(c1c(-c2ccccc2)oc(cc2)c1cc2N(C(c1ccncc1)=O)S(c(cc1)ccc1Cl)(=O)=O)=O

InChI

InChI=1S/C29H21ClN2O6S/c1-2-37-29(34)26-24-18-22(10-13-25(24)38-27(26)19-6-4-3-5-7-19)32(28(33)20-14-16-31-17-15-20)39(35,36)23-11-8-21(30)9-12-23/h3-18H,2H2,1H3

InChI Key

ZSCWASGTKNAMRU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02345962

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

561.01

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.790

Distribution Coefficient, logD

5.790

Water Solubility, LogSw

-6.12

Polar Surface Area

83.982

Acid Dissociation Constant (pKa)

30.16

Base Dissociation Constant (pKb)

2.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.90

3461-3184 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3461-3184 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3461-3184?
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What is the minimum amount of 3461-3184 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3461-3184
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3461-3184
  • 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 3461-3184 available by request