L694-0269 Screening compound: 6-{[4-(3,4-dimethylbenzoyl)piperazin-1-yl]sulfonyl}-3-ethyl-2,3-dihydro-1,3-benzoxazol-2-one

L694-0269 Screening compound: 6-{[4-(3,4-dimethylbenzoyl)piperazin-1-yl]sulfonyl}-3-ethyl-2,3-dihydro-1,3-benzoxazol-2-one
L694-0269 Screening compound: 6-{[4-(3,4-dimethylbenzoyl)piperazin-1-yl]sulfonyl}-3-ethyl-2,3-dihydro-1,3-benzoxazol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound L694-0269
6-{[4-(3,4-dimethylbenzoyl)piperazin-1-yl]sulfonyl}-3-ethyl-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

L694-0269

Molecular Formula

C22H25N3O5S (C22 H25 N3 O5 S)

Compound Name

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

IUPAC name

6-{[4-(34-dimethylbenzoyl)piperazin-1-yl]sulfonyl}-3-ethyl-23-dihydro-13-benzoxazol-2-one

SMILES

CCN(c(ccc(S(N(CC1)CCN1C(c1cc(C)c(C)cc1)=O)(=O)=O)c1)c1O1)C1=O

InChI

InChI=1S/C22H25N3O5S/c1-4-25-19-8-7-18(14-20(19)30-22(25)27)31(28,29)24-11-9-23(10-12-24)21(26)17-6-5-15(2)16(3)13-17/h5-8,13-14H,4,9-12H2,1-3H3

InChI Key

ZMOKQCHXJSPVMG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27470434

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.52

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

2.902

Distribution Coefficient, logD

2.902

Water Solubility, LogSw

-3.38

Polar Surface Area

71.230

Acid Dissociation Constant (pKa)

27.91

Base Dissociation Constant (pKb)

-3.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

References: we are preparing a list of scientific research reports with L694-0269 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L694-0269?
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What is the minimum amount of L694-0269 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L694-0269
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L694-0269
  • 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 L694-0269 available by request