C732-0643 Screening compound: 3-[2-(azepan-1-yl)-2-oxoethyl]-N-cyclohexyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide

C732-0643 Screening compound: 3-[2-(azepan-1-yl)-2-oxoethyl]-N-cyclohexyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide
C732-0643 Screening compound: 3-[2-(azepan-1-yl)-2-oxoethyl]-N-cyclohexyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C732-0643
3-[2-(azepan-1-yl)-2-oxoethyl]-N-cyclohexyl-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

C732-0643

Molecular Formula

C21H29N3O5S (C21 H29 N3 O5 S)

Compound Name

3-[2-(azepan-1-yl)-2-oxoethyl]-N-cyclohexyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide

IUPAC name

3-[2-(azepan-1-yl)-2-oxoethyl]-N-cyclohexyl-2-oxo-23-dihydro-13-benzoxazole-6-sulfonamide

SMILES

O=C(CN(c(ccc(S(NC1CCCCC1)(=O)=O)c1)c1O1)C1=O)N1CCCCCC1

InChI

InChI=1S/C21H29N3O5S/c25-20(23-12-6-1-2-7-13-23)15-24-18-11-10-17(14-19(18)29-21(24)26)30(27,28)22-16-8-4-3-5-9-16/h10-11,14,16,22H,1-9,12-13,15H2

InChI Key

NTXXMLORKKKIKA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14788944

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.54

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.156

Distribution Coefficient, logD

3.156

Water Solubility, LogSw

-3.66

Polar Surface Area

81.488

Acid Dissociation Constant (pKa)

11.23

Base Dissociation Constant (pKb)

2.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.90

C732-0643 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C732-0643 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C732-0643?
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What is the minimum amount of C732-0643 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C732-0643
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C732-0643
  • 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 C732-0643 available by request