D434-0561 Screening compound: 4-{4-cyano-5-[(prop-2-en-1-yl)amino]-1,3-oxazol-2-yl}-N,N-dimethylbenzene-1-sulfonamide

D434-0561 Screening compound: 4-{4-cyano-5-[(prop-2-en-1-yl)amino]-1,3-oxazol-2-yl}-N,N-dimethylbenzene-1-sulfonamide
D434-0561 Screening compound: 4-{4-cyano-5-[(prop-2-en-1-yl)amino]-1,3-oxazol-2-yl}-N,N-dimethylbenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D434-0561
4-{4-cyano-5-[(prop-2-en-1-yl)amino]-1,3-oxazol-2-yl}-N,N-dimethylbenzene-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

D434-0561

Molecular Formula

C15H16N4O3S (C15 H16 N4 O3 S)

Compound Name

4-{4-cyano-5-[(prop-2-en-1-yl)amino]-1,3-oxazol-2-yl}-N,N-dimethylbenzene-1-sulfonamide

IUPAC name

4-{4-cyano-5-[(prop-2-en-1-yl)amino]-13-oxazol-2-yl}-NN-dimethylbenzene-1-sulfonamide

SMILES

CN(C)S(c(cc1)ccc1-c1nc(C#N)c(NCC=C)o1)(=O)=O

InChI

InChI=1S/C15H16N4O3S/c1-4-9-17-15-13(10-16)18-14(22-15)11-5-7-12(8-6-11)23(20,21)19(2)3/h4-8,17H,1,9H2,2-3H3

InChI Key

UEZGASLWWVELRW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09762134

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

332.38

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.789

Distribution Coefficient, logD

1.789

Water Solubility, LogSw

-2.66

Polar Surface Area

80.054

Acid Dissociation Constant (pKa)

16.00

Base Dissociation Constant (pKb)

-4.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

D434-0561 in Drug Discovery

Included in Screening Libraries

Protein Kinases Inhibitors Library (36801 compounds)

Targeted Diversity Library (40567 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D434-0561 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D434-0561?
Check Price and Availability of D434-0561, 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 D434-0561 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D434-0561
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D434-0561
  • 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 D434-0561 available by request