D072-1589 Screening compound: 2-(4-chlorophenyl)-4-(4-fluorobenzenesulfonyl)-N-(prop-2-en-1-yl)-1,3-oxazol-5-amine

D072-1589 Screening compound: 2-(4-chlorophenyl)-4-(4-fluorobenzenesulfonyl)-N-(prop-2-en-1-yl)-1,3-oxazol-5-amine
D072-1589 Screening compound: 2-(4-chlorophenyl)-4-(4-fluorobenzenesulfonyl)-N-(prop-2-en-1-yl)-1,3-oxazol-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound D072-1589
2-(4-chlorophenyl)-4-(4-fluorobenzenesulfonyl)-N-(prop-2-en-1-yl)-1,3-oxazol-5-amine

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

D072-1589

Molecular Formula

C18H14ClFN2O3S (C18 H14 ClFN2 O3 S)

Compound Name

2-(4-chlorophenyl)-4-(4-fluorobenzenesulfonyl)-N-(prop-2-en-1-yl)-1,3-oxazol-5-amine

IUPAC name

2-(4-chlorophenyl)-4-(4-fluorobenzenesulfonyl)-N-(prop-2-en-1-yl)-13-oxazol-5-amine

SMILES

C=CCNc(oc(-c(cc1)ccc1Cl)n1)c1S(c(cc1)ccc1F)(=O)=O

InChI

InChI=1S/C18H14ClFN2O3S/c1-2-11-21-17-18(26(23,24)15-9-7-14(20)8-10-15)22-16(25-17)12-3-5-13(19)6-4-12/h2-10,21H,1,11H2

InChI Key

LPKTVLLNQKPMIQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04523614

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.84

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.362

Distribution Coefficient, logD

4.362

Water Solubility, LogSw

-4.73

Polar Surface Area

58.115

Acid Dissociation Constant (pKa)

17.55

Base Dissociation Constant (pKb)

-6.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

D072-1589 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 D072-1589 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D072-1589?
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What is the minimum amount of D072-1589 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D072-1589
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D072-1589
  • 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 D072-1589 available by request