L694-0256 Screening compound: N-(3-{4-[(3-ethyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)sulfonyl]piperazine-1-carbonyl}phenyl)acetamide

L694-0256 Screening compound: N-(3-{4-[(3-ethyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)sulfonyl]piperazine-1-carbonyl}phenyl)acetamide
L694-0256 Screening compound: N-(3-{4-[(3-ethyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)sulfonyl]piperazine-1-carbonyl}phenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L694-0256
N-(3-{4-[(3-ethyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)sulfonyl]piperazine-1-carbonyl}phenyl)acetamide

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

L694-0256

Molecular Formula

C22H24N4O6S (C22 H24 N4 O6 S)

Compound Name

N-(3-{4-[(3-ethyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)sulfonyl]piperazine-1-carbonyl}phenyl)acetamide

IUPAC name

N-(3-{4-[(3-ethyl-2-oxo-23-dihydro-13-benzoxazol-6-yl)sulfonyl]piperazine-1-carbonyl}phenyl)acetamide

SMILES

CCN(c(ccc(S(N(CC1)CCN1C(c1cc(NC(C)=O)ccc1)=O)(=O)=O)c1)c1O1)C1=O

InChI

InChI=1S/C22H24N4O6S/c1-3-26-19-8-7-18(14-20(19)32-22(26)29)33(30,31)25-11-9-24(10-12-25)21(28)16-5-4-6-17(13-16)23-15(2)27/h4-8,13-14H,3,9-12H2,1-2H3,(H,23,27)

InChI Key

NWUJBIMWKXIXLH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27470426

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

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.418

Distribution Coefficient, logD

1.418

Water Solubility, LogSw

-2.51

Polar Surface Area

94.492

Acid Dissociation Constant (pKa)

13.32

Base Dissociation Constant (pKb)

-1.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

L694-0256 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 L694-0256 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L694-0256?
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What is the minimum amount of L694-0256 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L694-0256
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L694-0256
  • 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 L694-0256 available by request