L694-0053 Screening compound: 6-{[4-(2,3-dimethoxybenzoyl)piperazin-1-yl]sulfonyl}-3-methyl-2,3-dihydro-1,3-benzoxazol-2-one

L694-0053 Screening compound: 6-{[4-(2,3-dimethoxybenzoyl)piperazin-1-yl]sulfonyl}-3-methyl-2,3-dihydro-1,3-benzoxazol-2-one
L694-0053 Screening compound: 6-{[4-(2,3-dimethoxybenzoyl)piperazin-1-yl]sulfonyl}-3-methyl-2,3-dihydro-1,3-benzoxazol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound L694-0053
6-{[4-(2,3-dimethoxybenzoyl)piperazin-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

L694-0053

Molecular Formula

C21H23N3O7S (C21 H23 N3 O7 S)

Compound Name

6-{[4-(2,3-dimethoxybenzoyl)piperazin-1-yl]sulfonyl}-3-methyl-2,3-dihydro-1,3-benzoxazol-2-one

IUPAC name

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

SMILES

CN(c(ccc(S(N(CC1)CCN1C(c(cccc1OC)c1OC)=O)(=O)=O)c1)c1O1)C1=O

InChI

InChI=1S/C21H23N3O7S/c1-22-16-8-7-14(13-18(16)31-21(22)26)32(27,28)24-11-9-23(10-12-24)20(25)15-5-4-6-17(29-2)19(15)30-3/h4-8,13H,9-12H2,1-3H3

InChI Key

MVUMOLXVXCLSLQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27470313

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.5

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.486

Distribution Coefficient, logD

1.486

Water Solubility, LogSw

-2.48

Polar Surface Area

86.619

Acid Dissociation Constant (pKa)

28.25

Base Dissociation Constant (pKb)

-4.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

L694-0053 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with L694-0053 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L694-0053?
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What is the minimum amount of L694-0053 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L694-0053
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L694-0053
  • 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 L694-0053 available by request