C700-1046 Screening compound: N-(2-benzoyl-4-chlorophenyl)-3-{[2-(pyridin-2-yl)ethyl]sulfanyl}propanamide

C700-1046 Screening compound: N-(2-benzoyl-4-chlorophenyl)-3-{[2-(pyridin-2-yl)ethyl]sulfanyl}propanamide
C700-1046 Screening compound: N-(2-benzoyl-4-chlorophenyl)-3-{[2-(pyridin-2-yl)ethyl]sulfanyl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C700-1046
N-(2-benzoyl-4-chlorophenyl)-3-{[2-(pyridin-2-yl)ethyl]sulfanyl}propanamide

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

C700-1046

Molecular Formula

C23H21ClN2O2S (C23 H21 ClN2 O2 S)

Compound Name

N-(2-benzoyl-4-chlorophenyl)-3-{[2-(pyridin-2-yl)ethyl]sulfanyl}propanamide

IUPAC name

N-(2-benzoyl-4-chlorophenyl)-3-{[2-(pyridin-2-yl)ethyl]sulfanyl}propanamide

SMILES

O=C(CCSCCc1ncccc1)Nc(ccc(Cl)c1)c1C(c1ccccc1)=O

InChI

InChI=1S/C23H21ClN2O2S/c24-18-9-10-21(20(16-18)23(28)17-6-2-1-3-7-17)26-22(27)12-15-29-14-11-19-8-4-5-13-25-19/h1-10,13,16H,11-12,14-15H2,(H,26,27)

InChI Key

PGXUPMNUQXVAHV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14785218

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.95

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.414

Distribution Coefficient, logD

4.409

Water Solubility, LogSw

-4.65

Polar Surface Area

45.429

Acid Dissociation Constant (pKa)

9.31

Base Dissociation Constant (pKb)

4.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

References: we are preparing a list of scientific research reports with C700-1046 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C700-1046?
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What is the minimum amount of C700-1046 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C700-1046
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C700-1046
  • 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 C700-1046 available by request