6691-0335 Screening compound: N-[2-(1,3-benzoxazol-2-ylsulfanyl)cyclohexyl]-4-chlorobenzene-1-sulfonamide

6691-0335 Screening compound: N-[2-(1,3-benzoxazol-2-ylsulfanyl)cyclohexyl]-4-chlorobenzene-1-sulfonamide
6691-0335 Screening compound: N-[2-(1,3-benzoxazol-2-ylsulfanyl)cyclohexyl]-4-chlorobenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6691-0335
N-[2-(1,3-benzoxazol-2-ylsulfanyl)cyclohexyl]-4-chlorobenzene-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

6691-0335

Molecular Formula

C19H19ClN2O3S2 (C19 H19 ClN2 O3 S2)

Compound Name

N-[2-(1,3-benzoxazol-2-ylsulfanyl)cyclohexyl]-4-chlorobenzene-1-sulfonamide

IUPAC name

N-[2-(13-benzoxazol-2-ylsulfanyl)cyclohexyl]-4-chlorobenzene-1-sulfonamide

SMILES

O=S(c(cc1)ccc1Cl)(NC(CCCC1)C1Sc1nc(cccc2)c2o1)=O

InChI

InChI=1S/C19H19ClN2O3S2/c20-13-9-11-14(12-10-13)27(23,24)22-16-6-2-4-8-18(16)26-19-21-15-5-1-3-7-17(15)25-19/h1,3,5,7,9-12,16,18,22H,2,4,6,8H2

InChI Key

NKUWXLYFFBAEEK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14711809

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.96

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.832

Distribution Coefficient, logD

5.832

Water Solubility, LogSw

-6.16

Polar Surface Area

58.717

Acid Dissociation Constant (pKa)

11.29

Base Dissociation Constant (pKb)

-1.81

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

31.60

6691-0335 in Drug Discovery

Included in Screening Libraries

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 6691-0335 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6691-0335?
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What is the minimum amount of 6691-0335 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6691-0335
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6691-0335
  • 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 6691-0335 available by request