3461-0981 Screening compound: N-(3-acetyl-7-chloro-2-methyl-1-benzofuran-5-yl)-4-ethylbenzene-1-sulfonamide

3461-0981 Screening compound: N-(3-acetyl-7-chloro-2-methyl-1-benzofuran-5-yl)-4-ethylbenzene-1-sulfonamide
3461-0981 Screening compound: N-(3-acetyl-7-chloro-2-methyl-1-benzofuran-5-yl)-4-ethylbenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3461-0981
N-(3-acetyl-7-chloro-2-methyl-1-benzofuran-5-yl)-4-ethylbenzene-1-sulfonamide

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

3461-0981

Molecular Formula

C19H18ClNO4S (C19 H18 ClNO4 S)

Compound Name

N-(3-acetyl-7-chloro-2-methyl-1-benzofuran-5-yl)-4-ethylbenzene-1-sulfonamide

IUPAC name

N-(3-acetyl-7-chloro-2-methyl-1-benzofuran-5-yl)-4-ethylbenzene-1-sulfonamide

SMILES

CCc(cc1)ccc1S(Nc1cc(Cl)c2oc(C)c(C(C)=O)c2c1)(=O)=O

InChI

InChI=1S/C19H18ClNO4S/c1-4-13-5-7-15(8-6-13)26(23,24)21-14-9-16-18(11(2)22)12(3)25-19(16)17(20)10-14/h5-10,21H,4H2,1-3H3

InChI Key

DZMWRBQPYUMOEC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02209390

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.87

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.706

Distribution Coefficient, logD

3.607

Water Solubility, LogSw

-5.00

Polar Surface Area

62.895

Acid Dissociation Constant (pKa)

6.34

Base Dissociation Constant (pKb)

-12.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

3461-0981 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with 3461-0981 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3461-0981?
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What is the minimum amount of 3461-0981 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3461-0981
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3461-0981
  • 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 3461-0981 available by request