D434-0689 Screening compound: 5-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-[4-(morpholine-4-sulfonyl)phenyl]-1,3-oxazole-4-carbonitrile

D434-0689 Screening compound: 5-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-[4-(morpholine-4-sulfonyl)phenyl]-1,3-oxazole-4-carbonitrile
D434-0689 Screening compound: 5-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-[4-(morpholine-4-sulfonyl)phenyl]-1,3-oxazole-4-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound D434-0689
5-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-[4-(morpholine-4-sulfonyl)phenyl]-1,3-oxazole-4-carbonitrile

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

D434-0689

Molecular Formula

C24H26N4O6S (C24 H26 N4 O6 S)

Compound Name

5-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-[4-(morpholine-4-sulfonyl)phenyl]-1,3-oxazole-4-carbonitrile

IUPAC name

5-{[2-(34-dimethoxyphenyl)ethyl]amino}-2-[4-(morpholine-4-sulfonyl)phenyl]-13-oxazole-4-carbonitrile

SMILES

COc(ccc(CCNc1c(C#N)nc(-c(cc2)ccc2S(N2CCOCC2)(=O)=O)o1)c1)c1OC

InChI

InChI=1S/C24H26N4O6S/c1-31-21-8-3-17(15-22(21)32-2)9-10-26-24-20(16-25)27-23(34-24)18-4-6-19(7-5-18)35(29,30)28-11-13-33-14-12-28/h3-8,15,26H,9-14H2,1-2H3

InChI Key

SKOXRWJBAJYRFW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09762262

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.56

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.141

Distribution Coefficient, logD

2.141

Water Solubility, LogSw

-2.74

Polar Surface Area

100.999

Acid Dissociation Constant (pKa)

16.70

Base Dissociation Constant (pKb)

-5.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

D434-0689 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 D434-0689 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D434-0689?
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What is the minimum amount of D434-0689 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D434-0689
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D434-0689
  • 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 D434-0689 available by request