D030-1052 Screening compound: 4-chloro-N-{2-[(4-ethoxyphenyl)(methyl)amino]cyclohexyl}benzene-1-sulfonamide

D030-1052 Screening compound: 4-chloro-N-{2-[(4-ethoxyphenyl)(methyl)amino]cyclohexyl}benzene-1-sulfonamide
D030-1052 Screening compound: 4-chloro-N-{2-[(4-ethoxyphenyl)(methyl)amino]cyclohexyl}benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D030-1052
4-chloro-N-{2-[(4-ethoxyphenyl)(methyl)amino]cyclohexyl}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

D030-1052

Molecular Formula

C21H27ClN2O3S (C21 H27 ClN2 O3 S)

Compound Name

4-chloro-N-{2-[(4-ethoxyphenyl)(methyl)amino]cyclohexyl}benzene-1-sulfonamide

IUPAC name

4-chloro-N-{2-[(4-ethoxyphenyl)(methyl)amino]cyclohexyl}benzene-1-sulfonamide

SMILES

CCOc(cc1)ccc1N(C)C(CCCC1)C1NS(c(cc1)ccc1Cl)(=O)=O

InChI

InChI=1S/C21H27ClN2O3S/c1-3-27-18-12-10-17(11-13-18)24(2)21-7-5-4-6-20(21)23-28(25,26)19-14-8-16(22)9-15-19/h8-15,20-21,23H,3-7H2,1-2H3

InChI Key

FGOPNBYTPYPUTN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14811222

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.98

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.840

Distribution Coefficient, logD

4.838

Water Solubility, LogSw

-4.72

Polar Surface Area

50.729

Acid Dissociation Constant (pKa)

11.01

Base Dissociation Constant (pKb)

5.02

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

42.90

D030-1052 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D030-1052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D030-1052?
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What is the minimum amount of D030-1052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D030-1052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D030-1052
  • 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 D030-1052 available by request