L694-0197 Screening compound: 4-{4-[(3-ethyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)sulfonyl]piperazine-1-carbonyl}benzonitrile

L694-0197 Screening compound: 4-{4-[(3-ethyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)sulfonyl]piperazine-1-carbonyl}benzonitrile
L694-0197 Screening compound: 4-{4-[(3-ethyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)sulfonyl]piperazine-1-carbonyl}benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound L694-0197
4-{4-[(3-ethyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)sulfonyl]piperazine-1-carbonyl}benzonitrile

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

L694-0197

Molecular Formula

C21H20N4O5S (C21 H20 N4 O5 S)

Compound Name

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

IUPAC name

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

SMILES

CCN(c(ccc(S(N(CC1)CCN1C(c(cc1)ccc1C#N)=O)(=O)=O)c1)c1O1)C1=O

InChI

InChI=1S/C21H20N4O5S/c1-2-25-18-8-7-17(13-19(18)30-21(25)27)31(28,29)24-11-9-23(10-12-24)20(26)16-5-3-15(14-22)4-6-16/h3-8,13H,2,9-12H2,1H3

InChI Key

RUXUTJBZAIOSAY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27470395

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.48

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.654

Distribution Coefficient, logD

1.654

Water Solubility, LogSw

-2.50

Polar Surface Area

88.287

Acid Dissociation Constant (pKa)

27.91

Base Dissociation Constant (pKb)

-3.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

References: we are preparing a list of scientific research reports with L694-0197 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L694-0197?
Check Price and Availability of L694-0197, 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 L694-0197 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L694-0197
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L694-0197
  • 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 L694-0197 available by request