L694-0001 Screening compound: N-(2-{4-[(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)sulfonyl]piperazin-1-yl}-2-oxoethyl)benzamide

L694-0001 Screening compound: N-(2-{4-[(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)sulfonyl]piperazin-1-yl}-2-oxoethyl)benzamide
L694-0001 Screening compound: N-(2-{4-[(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)sulfonyl]piperazin-1-yl}-2-oxoethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L694-0001
N-(2-{4-[(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)sulfonyl]piperazin-1-yl}-2-oxoethyl)benzamide

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

L694-0001

Molecular Formula

C21H22N4O6S (C21 H22 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)benzamide

IUPAC name

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

SMILES

CN(c(ccc(S(N(CC1)CCN1C(CNC(c1ccccc1)=O)=O)(=O)=O)c1)c1O1)C1=O

InChI

InChI=1S/C21H22N4O6S/c1-23-17-8-7-16(13-18(17)31-21(23)28)32(29,30)25-11-9-24(10-12-25)19(26)14-22-20(27)15-5-3-2-4-6-15/h2-8,13H,9-12,14H2,1H3,(H,22,27)

InChI Key

KUPIPMFKPCNYJR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27470295

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.5

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

0.898

Distribution Coefficient, logD

0.898

Water Solubility, LogSw

-2.51

Polar Surface Area

95.429

Acid Dissociation Constant (pKa)

11.78

Base Dissociation Constant (pKb)

-2.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

L694-0001 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with L694-0001 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L694-0001?
Check Price and Availability of L694-0001, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of L694-0001 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L694-0001
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L694-0001
  • 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 L694-0001 available by request