D072-0079 Screening compound: N-butyl-4-(4-chlorobenzenesulfonyl)-2-(4-fluorophenyl)-1,3-oxazol-5-amine

D072-0079 Screening compound: N-butyl-4-(4-chlorobenzenesulfonyl)-2-(4-fluorophenyl)-1,3-oxazol-5-amine
D072-0079 Screening compound: N-butyl-4-(4-chlorobenzenesulfonyl)-2-(4-fluorophenyl)-1,3-oxazol-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound D072-0079
N-butyl-4-(4-chlorobenzenesulfonyl)-2-(4-fluorophenyl)-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

D072-0079

Molecular Formula

C19H18ClFN2O3S (C19 H18 ClFN2 O3 S)

Compound Name

N-butyl-4-(4-chlorobenzenesulfonyl)-2-(4-fluorophenyl)-1,3-oxazol-5-amine

IUPAC name

N-butyl-4-(4-chlorobenzenesulfonyl)-2-(4-fluorophenyl)-13-oxazol-5-amine

SMILES

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

InChI

InChI=1S/C19H18ClFN2O3S/c1-2-3-12-22-18-19(27(24,25)16-10-6-14(20)7-11-16)23-17(26-18)13-4-8-15(21)9-5-13/h4-11,22H,2-3,12H2,1H3

InChI Key

ZESQGKALPHATPL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04544819

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.88

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.306

Distribution Coefficient, logD

5.306

Water Solubility, LogSw

-5.98

Polar Surface Area

58.115

Acid Dissociation Constant (pKa)

18.73

Base Dissociation Constant (pKb)

-5.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

D072-0079 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 D072-0079 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D072-0079?
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What is the minimum amount of D072-0079 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D072-0079
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D072-0079
  • 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 D072-0079 available by request