L694-0010 Screening compound: N-(2-methyl-5-{4-[(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)sulfonyl]piperazine-1-carbonyl}phenyl)acetamide

L694-0010 Screening compound: N-(2-methyl-5-{4-[(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)sulfonyl]piperazine-1-carbonyl}phenyl)acetamide
L694-0010 Screening compound: N-(2-methyl-5-{4-[(3-methyl-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 L694-0010
N-(2-methyl-5-{4-[(3-methyl-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

L694-0010

Molecular Formula

C22H24N4O6S (C22 H24 N4 O6 S)

Compound Name

N-(2-methyl-5-{4-[(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)sulfonyl]piperazine-1-carbonyl}phenyl)acetamide

IUPAC name

N-(2-methyl-5-{4-[(3-methyl-2-oxo-23-dihydro-13-benzoxazol-6-yl)sulfonyl]piperazine-1-carbonyl}phenyl)acetamide

SMILES

CC(Nc1c(C)ccc(C(N(CC2)CCN2S(c(cc2)cc(O3)c2N(C)C3=O)(=O)=O)=O)c1)=O

InChI

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

InChI Key

JKGHYUJSQUMABK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27470298

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

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.555

Distribution Coefficient, logD

0.555

Water Solubility, LogSw

-2.39

Polar Surface Area

93.835

Acid Dissociation Constant (pKa)

13.08

Base Dissociation Constant (pKb)

-1.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

L694-0010 in Drug Discovery

Included in Screening Libraries

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

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with L694-0010 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L694-0010?
Check Price and Availability of L694-0010, 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 L694-0010 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L694-0010
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L694-0010
  • 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 L694-0010 available by request