L694-0357 Screening compound: 6-{[4-(3,5-dimethylbenzoyl)piperazin-1-yl]sulfonyl}-3-(propan-2-yl)-2,3-dihydro-1,3-benzoxazol-2-one

L694-0357 Screening compound: 6-{[4-(3,5-dimethylbenzoyl)piperazin-1-yl]sulfonyl}-3-(propan-2-yl)-2,3-dihydro-1,3-benzoxazol-2-one
L694-0357 Screening compound: 6-{[4-(3,5-dimethylbenzoyl)piperazin-1-yl]sulfonyl}-3-(propan-2-yl)-2,3-dihydro-1,3-benzoxazol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound L694-0357
6-{[4-(3,5-dimethylbenzoyl)piperazin-1-yl]sulfonyl}-3-(propan-2-yl)-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

L694-0357

Molecular Formula

C23H27N3O5S (C23 H27 N3 O5 S)

Compound Name

6-{[4-(3,5-dimethylbenzoyl)piperazin-1-yl]sulfonyl}-3-(propan-2-yl)-2,3-dihydro-1,3-benzoxazol-2-one

IUPAC name

6-{[4-(35-dimethylbenzoyl)piperazin-1-yl]sulfonyl}-3-(propan-2-yl)-23-dihydro-13-benzoxazol-2-one

SMILES

CC(C)N(c(ccc(S(N(CC1)CCN1C(c1cc(C)cc(C)c1)=O)(=O)=O)c1)c1O1)C1=O

InChI

InChI=1S/C23H27N3O5S/c1-15(2)26-20-6-5-19(14-21(20)31-23(26)28)32(29,30)25-9-7-24(8-10-25)22(27)18-12-16(3)11-17(4)13-18/h5-6,11-15H,7-10H2,1-4H3

InChI Key

PEOKUZZNYIUDTM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27470466

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.55

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.183

Distribution Coefficient, logD

3.183

Water Solubility, LogSw

-3.64

Polar Surface Area

71.226

Acid Dissociation Constant (pKa)

25.55

Base Dissociation Constant (pKb)

-3.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

L694-0357 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 L694-0357 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L694-0357?
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What is the minimum amount of L694-0357 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L694-0357
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L694-0357
  • 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 L694-0357 available by request