L694-0037 Screening compound: N-(2-{4-[(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)sulfonyl]piperazin-1-yl}-2-oxoethyl)-2-phenylacetamide

L694-0037 Screening compound: N-(2-{4-[(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)sulfonyl]piperazin-1-yl}-2-oxoethyl)-2-phenylacetamide
L694-0037 Screening compound: N-(2-{4-[(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)sulfonyl]piperazin-1-yl}-2-oxoethyl)-2-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L694-0037
N-(2-{4-[(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)sulfonyl]piperazin-1-yl}-2-oxoethyl)-2-phenylacetamide

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

L694-0037

Molecular Formula

C22H24N4O6S (C22 H24 N4 O6 S)

Compound Name

N-(2-{4-[(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)sulfonyl]piperazin-1-yl}-2-oxoethyl)-2-phenylacetamide

IUPAC name

N-(2-{4-[(3-methyl-2-oxo-23-dihydro-13-benzoxazol-6-yl)sulfonyl]piperazin-1-yl}-2-oxoethyl)-2-phenylacetamide

SMILES

CN(c(ccc(S(N(CC1)CCN1C(CNC(Cc1ccccc1)=O)=O)(=O)=O)c1)c1O1)C1=O

InChI

InChI=1S/C22H24N4O6S/c1-24-18-8-7-17(14-19(18)32-22(24)29)33(30,31)26-11-9-25(10-12-26)21(28)15-23-20(27)13-16-5-3-2-4-6-16/h2-8,14H,9-13,15H2,1H3,(H,23,27)

InChI Key

LNRPXCNOJSBRGE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27470306

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.52

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.888

Distribution Coefficient, logD

0.888

Water Solubility, LogSw

-2.46

Polar Surface Area

95.215

Acid Dissociation Constant (pKa)

12.67

Base Dissociation Constant (pKb)

-1.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

References: we are preparing a list of scientific research reports with L694-0037 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L694-0037?
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What is the minimum amount of L694-0037 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L694-0037
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L694-0037
  • 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 L694-0037 available by request