C382-0154 Screening compound: 4-methoxy-N-({4-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]phenyl}methyl)benzene-1-sulfonamide

C382-0154 Screening compound: 4-methoxy-N-({4-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]phenyl}methyl)benzene-1-sulfonamide
C382-0154 Screening compound: 4-methoxy-N-({4-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]phenyl}methyl)benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C382-0154
4-methoxy-N-({4-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]phenyl}methyl)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

C382-0154

Molecular Formula

C27H31N3O4S (C27 H31 N3 O4 S)

Compound Name

4-methoxy-N-({4-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]phenyl}methyl)benzene-1-sulfonamide

IUPAC name

4-methoxy-N-({4-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]phenyl}methyl)benzene-1-sulfonamide

SMILES

CC(CN(CC1)C(c2ccc(CNS(c(cc3)ccc3OC)(=O)=O)cc2)=O)N1c1cc(C)ccc1

InChI

InChI=1S/C27H31N3O4S/c1-20-5-4-6-24(17-20)30-16-15-29(19-21(30)2)27(31)23-9-7-22(8-10-23)18-28-35(32,33)26-13-11-25(34-3)12-14-26/h4-14,17,21,28H,15-16,18-19H2,1-3H3/t21-/m0/s1

InChI Key

UQVBFIMCUDIYAU-NRFANRHFSA-N

MDL Number (MFCD)

MFCD14754900

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.63

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.304

Distribution Coefficient, logD

4.304

Water Solubility, LogSw

-4.21

Polar Surface Area

68.667

Acid Dissociation Constant (pKa)

11.08

Base Dissociation Constant (pKb)

2.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.60

C382-0154 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

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

MCE-18 Trends in Medicinal Chemistry (51288 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 C382-0154 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C382-0154?
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What is the minimum amount of C382-0154 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C382-0154
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C382-0154
  • 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 C382-0154 available by request