D434-0566 Screening compound: 4-(5-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-4-cyano-1,3-oxazol-2-yl)-N,N-dimethylbenzene-1-sulfonamide

D434-0566 Screening compound: 4-(5-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-4-cyano-1,3-oxazol-2-yl)-N,N-dimethylbenzene-1-sulfonamide
D434-0566 Screening compound: 4-(5-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-4-cyano-1,3-oxazol-2-yl)-N,N-dimethylbenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D434-0566
4-(5-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-4-cyano-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

D434-0566

Molecular Formula

C20H18N4O5S (C20 H18 N4 O5 S)

Compound Name

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

IUPAC name

4-(5-{[(2H-13-benzodioxol-5-yl)methyl]amino}-4-cyano-13-oxazol-2-yl)-NN-dimethylbenzene-1-sulfonamide

SMILES

CN(C)S(c(cc1)ccc1-c1nc(C#N)c(NCc(cc2)cc3c2OCO3)o1)(=O)=O

InChI

InChI=1S/C20H18N4O5S/c1-24(2)30(25,26)15-6-4-14(5-7-15)19-23-16(10-21)20(29-19)22-11-13-3-8-17-18(9-13)28-12-27-17/h3-9,22H,11-12H2,1-2H3

InChI Key

LFJBREQPBRWZKI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09762139

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.45

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.603

Distribution Coefficient, logD

2.603

Water Solubility, LogSw

-3.07

Polar Surface Area

97.057

Acid Dissociation Constant (pKa)

16.84

Base Dissociation Constant (pKb)

-4.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

D434-0566 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

KRAS-Targeted Library (16000 compounds)

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

References: we are preparing a list of scientific research reports with D434-0566 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D434-0566?
Check Price and Availability of D434-0566, 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 D434-0566 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D434-0566
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D434-0566
  • 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 D434-0566 available by request