D072-0795 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(4-fluorobenzenesulfonyl)-2-(2-methylphenyl)-1,3-oxazol-5-amine

D072-0795 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(4-fluorobenzenesulfonyl)-2-(2-methylphenyl)-1,3-oxazol-5-amine
D072-0795 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(4-fluorobenzenesulfonyl)-2-(2-methylphenyl)-1,3-oxazol-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound D072-0795
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(4-fluorobenzenesulfonyl)-2-(2-methylphenyl)-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

D072-0795

Molecular Formula

C24H19FN2O5S (C24 H19 FN2 O5 S)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(4-fluorobenzenesulfonyl)-2-(2-methylphenyl)-1,3-oxazol-5-amine

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-4-(4-fluorobenzenesulfonyl)-2-(2-methylphenyl)-13-oxazol-5-amine

SMILES

Cc(cccc1)c1-c1nc(S(c(cc2)ccc2F)(=O)=O)c(NCc(cc2)cc3c2OCO3)o1

InChI

InChI=1S/C24H19FN2O5S/c1-15-4-2-3-5-19(15)22-27-24(33(28,29)18-9-7-17(25)8-10-18)23(32-22)26-13-16-6-11-20-21(12-16)31-14-30-20/h2-12,26H,13-14H2,1H3

InChI Key

JECPHGMFWCPQLY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04600980

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.807

Distribution Coefficient, logD

4.807

Water Solubility, LogSw

-4.61

Polar Surface Area

75.117

Acid Dissociation Constant (pKa)

19.11

Base Dissociation Constant (pKb)

-7.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

D072-0795 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer

References: we are preparing a list of scientific research reports with D072-0795 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D072-0795?
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What is the minimum amount of D072-0795 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D072-0795
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D072-0795
  • 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 D072-0795 available by request