C301-9583 Screening compound: 3-chloro-N-{4-[(cyclohexylmethyl)amino]-2-oxo-2H-chromen-3-yl}benzene-1-sulfonamide

C301-9583 Screening compound: 3-chloro-N-{4-[(cyclohexylmethyl)amino]-2-oxo-2H-chromen-3-yl}benzene-1-sulfonamide
C301-9583 Screening compound: 3-chloro-N-{4-[(cyclohexylmethyl)amino]-2-oxo-2H-chromen-3-yl}benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-9583
3-chloro-N-{4-[(cyclohexylmethyl)amino]-2-oxo-2H-chromen-3-yl}benzene-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

C301-9583

Molecular Formula

C22H23ClN2O4S (C22 H23 ClN2 O4 S)

Compound Name

3-chloro-N-{4-[(cyclohexylmethyl)amino]-2-oxo-2H-chromen-3-yl}benzene-1-sulfonamide

IUPAC name

3-chloro-N-{4-[(cyclohexylmethyl)amino]-2-oxo-2H-chromen-3-yl}benzene-1-sulfonamide

SMILES

O=C1Oc(cccc2)c2C(NCC2CCCCC2)=C1NS(c1cccc(Cl)c1)(=O)=O

InChI

InChI=1S/C22H23ClN2O4S/c23-16-9-6-10-17(13-16)30(27,28)25-21-20(24-14-15-7-2-1-3-8-15)18-11-4-5-12-19(18)29-22(21)26/h4-6,9-13,15,24-25H,1-3,7-8,14H2

InChI Key

UKEBRGSHAVUXCB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26964163

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.95

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.703

Distribution Coefficient, logD

0.067

Water Solubility, LogSw

-4.94

Polar Surface Area

72.634

Acid Dissociation Constant (pKa)

2.76

Base Dissociation Constant (pKb)

5.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

References: we are preparing a list of scientific research reports with C301-9583 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-9583?
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What is the minimum amount of C301-9583 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-9583
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-9583
  • 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 C301-9583 available by request