D434-0552 Screening compound: 4-[4-cyano-5-(1,2,3,4-tetrahydroisoquinolin-2-yl)-1,3-oxazol-2-yl]-N,N-dimethylbenzene-1-sulfonamide

D434-0552 Screening compound: 4-[4-cyano-5-(1,2,3,4-tetrahydroisoquinolin-2-yl)-1,3-oxazol-2-yl]-N,N-dimethylbenzene-1-sulfonamide
D434-0552 Screening compound: 4-[4-cyano-5-(1,2,3,4-tetrahydroisoquinolin-2-yl)-1,3-oxazol-2-yl]-N,N-dimethylbenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D434-0552
4-[4-cyano-5-(1,2,3,4-tetrahydroisoquinolin-2-yl)-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

D434-0552

Molecular Formula

C21H20N4O3S (C21 H20 N4 O3 S)

Compound Name

4-[4-cyano-5-(1,2,3,4-tetrahydroisoquinolin-2-yl)-1,3-oxazol-2-yl]-N,N-dimethylbenzene-1-sulfonamide

IUPAC name

4-[4-cyano-5-(1234-tetrahydroisoquinolin-2-yl)-13-oxazol-2-yl]-NN-dimethylbenzene-1-sulfonamide

SMILES

CN(C)S(c(cc1)ccc1-c1nc(C#N)c(N(CC2)Cc3c2cccc3)o1)(=O)=O

InChI

InChI=1S/C21H20N4O3S/c1-24(2)29(26,27)18-9-7-16(8-10-18)20-23-19(13-22)21(28-20)25-12-11-15-5-3-4-6-17(15)14-25/h3-10H,11-12,14H2,1-2H3

InChI Key

SBICROTZTXIKDD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09762125

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.485

Distribution Coefficient, logD

3.485

Water Solubility, LogSw

-3.71

Polar Surface Area

73.080

Acid Dissociation Constant (pKa)

23.67

Base Dissociation Constant (pKb)

-4.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

D434-0552 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D434-0552 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D434-0552?
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What is the minimum amount of D434-0552 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D434-0552
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D434-0552
  • 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 D434-0552 available by request