D072-1396 Screening compound: 4-(benzenesulfonyl)-2-(2-chlorophenyl)-5-(pyrrolidin-1-yl)-1,3-oxazole

D072-1396 Screening compound: 4-(benzenesulfonyl)-2-(2-chlorophenyl)-5-(pyrrolidin-1-yl)-1,3-oxazole
D072-1396 Screening compound: 4-(benzenesulfonyl)-2-(2-chlorophenyl)-5-(pyrrolidin-1-yl)-1,3-oxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D072-1396
4-(benzenesulfonyl)-2-(2-chlorophenyl)-5-(pyrrolidin-1-yl)-1,3-oxazole

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

D072-1396

Molecular Formula

C19H17ClN2O3S (C19 H17 ClN2 O3 S)

Compound Name

4-(benzenesulfonyl)-2-(2-chlorophenyl)-5-(pyrrolidin-1-yl)-1,3-oxazole

IUPAC name

4-(benzenesulfonyl)-2-(2-chlorophenyl)-5-(pyrrolidin-1-yl)-13-oxazole

SMILES

O=S(c1c(N2CCCC2)oc(-c(cccc2)c2Cl)n1)(c1ccccc1)=O

InChI

InChI=1S/C19H17ClN2O3S/c20-16-11-5-4-10-15(16)17-21-18(19(25-17)22-12-6-7-13-22)26(23,24)14-8-2-1-3-9-14/h1-5,8-11H,6-7,12-13H2

InChI Key

MRLNNTWMAXTDRL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03491896

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.87

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.559

Distribution Coefficient, logD

4.559

Water Solubility, LogSw

-4.66

Polar Surface Area

51.845

Acid Dissociation Constant (pKa)

26.07

Base Dissociation Constant (pKb)

-7.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

D072-1396 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D072-1396 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D072-1396?
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What is the minimum amount of D072-1396 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D072-1396
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D072-1396
  • 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 D072-1396 available by request