D434-0968 Screening compound: N-benzyl-4-[4-cyano-5-(ethylamino)-1,3-oxazol-2-yl]-N-methylbenzene-1-sulfonamide

D434-0968 Screening compound: N-benzyl-4-[4-cyano-5-(ethylamino)-1,3-oxazol-2-yl]-N-methylbenzene-1-sulfonamide
D434-0968 Screening compound: N-benzyl-4-[4-cyano-5-(ethylamino)-1,3-oxazol-2-yl]-N-methylbenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D434-0968
N-benzyl-4-[4-cyano-5-(ethylamino)-1,3-oxazol-2-yl]-N-methylbenzene-1-sulfonamide

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

D434-0968

Molecular Formula

C20H20N4O3S (C20 H20 N4 O3 S)

Compound Name

N-benzyl-4-[4-cyano-5-(ethylamino)-1,3-oxazol-2-yl]-N-methylbenzene-1-sulfonamide

IUPAC name

N-benzyl-4-[4-cyano-5-(ethylamino)-13-oxazol-2-yl]-N-methylbenzene-1-sulfonamide

SMILES

CCNc1c(C#N)nc(-c(cc2)ccc2S(N(C)Cc2ccccc2)(=O)=O)o1

InChI

InChI=1S/C20H20N4O3S/c1-3-22-20-18(13-21)23-19(27-20)16-9-11-17(12-10-16)28(25,26)24(2)14-15-7-5-4-6-8-15/h4-12,22H,3,14H2,1-2H3

InChI Key

VUVHFLFXZFFPFW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09762541

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.165

Distribution Coefficient, logD

3.165

Water Solubility, LogSw

-3.42

Polar Surface Area

78.739

Acid Dissociation Constant (pKa)

17.44

Base Dissociation Constant (pKb)

-4.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

D434-0968 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D434-0968 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D434-0968?
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What is the minimum amount of D434-0968 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D434-0968
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D434-0968
  • 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 D434-0968 available by request