L694-0052 Screening compound: 6-[(4-cyclopropanecarbonylpiperazin-1-yl)sulfonyl]-3-methyl-2,3-dihydro-1,3-benzoxazol-2-one

L694-0052 Screening compound: 6-[(4-cyclopropanecarbonylpiperazin-1-yl)sulfonyl]-3-methyl-2,3-dihydro-1,3-benzoxazol-2-one
L694-0052 Screening compound: 6-[(4-cyclopropanecarbonylpiperazin-1-yl)sulfonyl]-3-methyl-2,3-dihydro-1,3-benzoxazol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound L694-0052
6-[(4-cyclopropanecarbonylpiperazin-1-yl)sulfonyl]-3-methyl-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

L694-0052

Molecular Formula

C16H19N3O5S (C16 H19 N3 O5 S)

Compound Name

6-[(4-cyclopropanecarbonylpiperazin-1-yl)sulfonyl]-3-methyl-2,3-dihydro-1,3-benzoxazol-2-one

IUPAC name

6-[(4-cyclopropanecarbonylpiperazin-1-yl)sulfonyl]-3-methyl-23-dihydro-13-benzoxazol-2-one

SMILES

CN(c(ccc(S(N(CC1)CCN1C(C1CC1)=O)(=O)=O)c1)c1O1)C1=O

InChI

InChI=1S/C16H19N3O5S/c1-17-13-5-4-12(10-14(13)24-16(17)21)25(22,23)19-8-6-18(7-9-19)15(20)11-2-3-11/h4-5,10-11H,2-3,6-9H2,1H3

InChI Key

CEVAUUHJPJVNAI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD16923438

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.41

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.939

Distribution Coefficient, logD

0.939

Water Solubility, LogSw

-2.35

Polar Surface Area

71.795

Acid Dissociation Constant (pKa)

22.91

Base Dissociation Constant (pKb)

-1.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

L694-0052 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with L694-0052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L694-0052?
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What is the minimum amount of L694-0052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L694-0052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L694-0052
  • 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 L694-0052 available by request