C382-0301 Screening compound: N-({4-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]phenyl}methyl)benzenesulfonamide

C382-0301 Screening compound: N-({4-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]phenyl}methyl)benzenesulfonamide
C382-0301 Screening compound: N-({4-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]phenyl}methyl)benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C382-0301
N-({4-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]phenyl}methyl)benzenesulfonamide

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

C382-0301

Molecular Formula

C26H29N3O3S (C26 H29 N3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CC(CN(CC1)C(c2ccc(CNS(c3ccccc3)(=O)=O)cc2)=O)N1c1cc(C)ccc1

InChI

InChI=1S/C26H29N3O3S/c1-20-7-6-8-24(17-20)29-16-15-28(19-21(29)2)26(30)23-13-11-22(12-14-23)18-27-33(31,32)25-9-4-3-5-10-25/h3-14,17,21,27H,15-16,18-19H2,1-2H3/t21-/m0/s1

InChI Key

RHWPUORHHQNRKG-NRFANRHFSA-N

MDL Number (MFCD)

MFCD14754938

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.6

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.136

Distribution Coefficient, logD

4.136

Water Solubility, LogSw

-4.13

Polar Surface Area

61.124

Acid Dissociation Constant (pKa)

10.66

Base Dissociation Constant (pKb)

2.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.90

C382-0301 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C382-0301 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C382-0301?
Check Price and Availability of C382-0301, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C382-0301 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C382-0301
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C382-0301
  • 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 C382-0301 available by request