C301-9591 Screening compound: 4-chloro-N-{4-[(cyclohexylmethyl)amino]-2-oxo-2H-chromen-3-yl}benzene-1-sulfonamide

C301-9591 Screening compound: 4-chloro-N-{4-[(cyclohexylmethyl)amino]-2-oxo-2H-chromen-3-yl}benzene-1-sulfonamide
C301-9591 Screening compound: 4-chloro-N-{4-[(cyclohexylmethyl)amino]-2-oxo-2H-chromen-3-yl}benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-9591
4-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

C301-9591

Molecular Formula

C22H23ClN2O4S (C22 H23 ClN2 O4 S)

Compound Name

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

IUPAC name

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

SMILES

O=C1Oc(cccc2)c2C(NCC2CCCCC2)=C1NS(c(cc1)ccc1Cl)(=O)=O

InChI

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

InChI Key

ZCHKMYKRGAORSX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26964170

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

4.800

Distribution Coefficient, logD

-0.257

Water Solubility, LogSw

-5.07

Polar Surface Area

72.634

Acid Dissociation Constant (pKa)

2.34

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 C301-9591 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-9591?
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What is the minimum amount of C301-9591 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-9591
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-9591
  • 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 C301-9591 available by request