D072-0422 Screening compound: 4-(benzenesulfonyl)-N-benzyl-N-methyl-2-phenyl-1,3-oxazol-5-amine

D072-0422 Screening compound: 4-(benzenesulfonyl)-N-benzyl-N-methyl-2-phenyl-1,3-oxazol-5-amine
D072-0422 Screening compound: 4-(benzenesulfonyl)-N-benzyl-N-methyl-2-phenyl-1,3-oxazol-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound D072-0422
4-(benzenesulfonyl)-N-benzyl-N-methyl-2-phenyl-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

D072-0422

Molecular Formula

C23H20N2O3S (C23 H20 N2 O3 S)

Compound Name

4-(benzenesulfonyl)-N-benzyl-N-methyl-2-phenyl-1,3-oxazol-5-amine

IUPAC name

4-(benzenesulfonyl)-N-benzyl-N-methyl-2-phenyl-13-oxazol-5-amine

SMILES

CN(Cc1ccccc1)c(oc(-c1ccccc1)n1)c1S(c1ccccc1)(=O)=O

InChI

InChI=1S/C23H20N2O3S/c1-25(17-18-11-5-2-6-12-18)23-22(29(26,27)20-15-9-4-10-16-20)24-21(28-23)19-13-7-3-8-14-19/h2-16H,17H2,1H3

InChI Key

DDJGPAGLGXXNIE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03150991

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.012

Distribution Coefficient, logD

5.012

Water Solubility, LogSw

-4.71

Polar Surface Area

50.981

Acid Dissociation Constant (pKa)

25.95

Base Dissociation Constant (pKb)

-7.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

D072-0422 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 D072-0422 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D072-0422?
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What is the minimum amount of D072-0422 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D072-0422
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D072-0422
  • 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 D072-0422 available by request