C697-0972 Screening compound: N-{3-[4-(2,3-DIMETHYLPHENYL)PIPERAZIN-1-YL]-3-OXOPROPYL}-3-METHYL-2-OXO-2,3-DIHYDRO-1,3-BENZOXAZOLE-6-SULFONAMIDE

C697-0972 Screening compound: N-{3-[4-(2,3-DIMETHYLPHENYL)PIPERAZIN-1-YL]-3-OXOPROPYL}-3-METHYL-2-OXO-2,3-DIHYDRO-1,3-BENZOXAZOLE-6-SULFONAMIDE
C697-0972 Screening compound: N-{3-[4-(2,3-DIMETHYLPHENYL)PIPERAZIN-1-YL]-3-OXOPROPYL}-3-METHYL-2-OXO-2,3-DIHYDRO-1,3-BENZOXAZOLE-6-SULFONAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound C697-0972
N-{3-[4-(2,3-DIMETHYLPHENYL)PIPERAZIN-1-YL]-3-OXOPROPYL}-3-METHYL-2-OXO-2,3-DIHYDRO-1,3-BENZOXAZOLE-6-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

C697-0972

Molecular Formula

C23H28N4O5S (C23 H28 N4 O5 S)

Compound Name

N-{3-[4-(2,3-DIMETHYLPHENYL)PIPERAZIN-1-YL]-3-OXOPROPYL}-3-METHYL-2-OXO-2,3-DIHYDRO-1,3-BENZOXAZOLE-6-SULFONAMIDE

IUPAC name

n/a

SMILES

Cc1cccc(N(CC2)CCN2C(CCNS(c(cc2)cc(O3)c2N(C)C3=O)(=O)=O)=O)c1C

InChI

InChI=1S/C23H28N4O5S/c1-16-5-4-6-19(17(16)2)26-11-13-27(14-12-26)22(28)9-10-24-33(30,31)18-7-8-20-21(15-18)32-23(29)25(20)3/h4-8,15,24H,9-14H2,1-3H3

InChI Key

PYHVEKUSRUJANV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14784041

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.57

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.694

Distribution Coefficient, logD

2.694

Water Solubility, LogSw

-3.27

Polar Surface Area

84.056

Acid Dissociation Constant (pKa)

11.07

Base Dissociation Constant (pKb)

5.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

C697-0972 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with C697-0972 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C697-0972?
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What is the minimum amount of C697-0972 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C697-0972
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C697-0972
  • 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 C697-0972 available by request