8016-9716 Screening compound: 4-(4-methoxy-3-methylbenzenesulfonamido)-N-(2-phenylethyl)benzamide

8016-9716 Screening compound: 4-(4-methoxy-3-methylbenzenesulfonamido)-N-(2-phenylethyl)benzamide
8016-9716 Screening compound: 4-(4-methoxy-3-methylbenzenesulfonamido)-N-(2-phenylethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-9716
4-(4-methoxy-3-methylbenzenesulfonamido)-N-(2-phenylethyl)benzamide

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

8016-9716

Molecular Formula

C23H24N2O4S (C23 H24 N2 O4 S)

Compound Name

4-(4-methoxy-3-methylbenzenesulfonamido)-N-(2-phenylethyl)benzamide

IUPAC name

4-(4-methoxy-3-methylbenzenesulfonamido)-N-(2-phenylethyl)benzamide

SMILES

Cc(cc(cc1)S(Nc(cc2)ccc2C(NCCc2ccccc2)=O)(=O)=O)c1OC

InChI

InChI=1S/C23H24N2O4S/c1-17-16-21(12-13-22(17)29-2)30(27,28)25-20-10-8-19(9-11-20)23(26)24-15-14-18-6-4-3-5-7-18/h3-13,16,25H,14-15H2,1-2H3,(H,24,26)

InChI Key

VCKVCKCUFDNURC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05860701

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.754

Distribution Coefficient, logD

3.549

Water Solubility, LogSw

-4.12

Polar Surface Area

72.773

Acid Dissociation Constant (pKa)

7.62

Base Dissociation Constant (pKb)

-1.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

8016-9716 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8016-9716 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-9716?
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What is the minimum amount of 8016-9716 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-9716
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-9716
  • 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 8016-9716 available by request