4158-2592 Screening compound: 3-(2-chloropropanoyl)-6-(piperidine-1-sulfonyl)-2,3-dihydro-1,3-benzoxazol-2-one

4158-2592 Screening compound: 3-(2-chloropropanoyl)-6-(piperidine-1-sulfonyl)-2,3-dihydro-1,3-benzoxazol-2-one
4158-2592 Screening compound: 3-(2-chloropropanoyl)-6-(piperidine-1-sulfonyl)-2,3-dihydro-1,3-benzoxazol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4158-2592
3-(2-chloropropanoyl)-6-(piperidine-1-sulfonyl)-2,3-dihydro-1,3-benzoxazol-2-one

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

4158-2592

Molecular Formula

C15H17ClN2O5S (C15 H17 ClN2 O5 S)

Compound Name

3-(2-chloropropanoyl)-6-(piperidine-1-sulfonyl)-2,3-dihydro-1,3-benzoxazol-2-one

IUPAC name

3-(2-chloropropanoyl)-6-(piperidine-1-sulfonyl)-23-dihydro-13-benzoxazol-2-one

SMILES

CC(C(N(c(ccc(S(N1CCCCC1)(=O)=O)c1)c1O1)C1=O)=O)Cl

InChI

InChI=1S/C15H17ClN2O5S/c1-10(16)14(19)18-12-6-5-11(9-13(12)23-15(18)20)24(21,22)17-7-3-2-4-8-17/h5-6,9-10H,2-4,7-8H2,1H3/t10-/m0/s1

InChI Key

ZQQGOXAQEQFLHD-JTQLQIEISA-N

MDL Number (MFCD)

MFCD02933305

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.83

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.800

Distribution Coefficient, logD

1.800

Water Solubility, LogSw

-2.64

Polar Surface Area

67.634

Acid Dissociation Constant (pKa)

16.27

Base Dissociation Constant (pKb)

-3.43

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.70

4158-2592 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

CORONAVIRUS Library (20774 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro
  • Agro

References: we are preparing a list of scientific research reports with 4158-2592 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4158-2592?
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What is the minimum amount of 4158-2592 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4158-2592
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4158-2592
  • 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 4158-2592 available by request