1683-5986 Screening compound: 4-chloro-N~1~-(1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-phenylbenzamide

1683-5986 Screening compound: 4-chloro-N~1~-(1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-phenylbenzamide
1683-5986 Screening compound: 4-chloro-N~1~-(1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-phenylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1683-5986
4-chloro-N~1~-(1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-phenylbenzamide

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

1683-5986

Molecular Formula

C17H14ClNO3S (C17 H14 ClNO3 S)

Compound Name

4-chloro-N~1~-(1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-phenylbenzamide

IUPAC name

4-chloro-N-(11-dioxo-23-dihydro-1lambda6-thiophen-3-yl)-N-phenylbenzamide

SMILES

O=C(c(cc1)ccc1Cl)N(C(C1)C=CS1(=O)=O)c1ccccc1

InChI

InChI=1S/C17H14ClNO3S/c18-14-8-6-13(7-9-14)17(20)19(15-4-2-1-3-5-15)16-10-11-23(21,22)12-16/h1-11,16H,12H2/t16-/m1/s1

InChI Key

YDWZCQMAAZRWOG-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD01035792

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

347.82

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.661

Distribution Coefficient, logD

2.661

Water Solubility, LogSw

-3.43

Polar Surface Area

43.379

Acid Dissociation Constant (pKa)

21.31

Base Dissociation Constant (pKb)

-6.72

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

11.80

1683-5986 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1683-5986 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 1683-5986 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1683-5986
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1683-5986
  • 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 1683-5986 available by request