D072-1681 Screening compound: 1-[2-(2-fluorophenyl)-4-(4-methylbenzenesulfonyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide

D072-1681 Screening compound: 1-[2-(2-fluorophenyl)-4-(4-methylbenzenesulfonyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide
D072-1681 Screening compound: 1-[2-(2-fluorophenyl)-4-(4-methylbenzenesulfonyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D072-1681
1-[2-(2-fluorophenyl)-4-(4-methylbenzenesulfonyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide

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

D072-1681

Molecular Formula

C22H22FN3O4S (C22 H22 FN3 O4 S)

Compound Name

1-[2-(2-fluorophenyl)-4-(4-methylbenzenesulfonyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide

IUPAC name

1-[2-(2-fluorophenyl)-4-(4-methylbenzenesulfonyl)-13-oxazol-5-yl]piperidine-4-carboxamide

SMILES

Cc(cc1)ccc1S(c1c(N(CC2)CCC2C(N)=O)oc(-c(cccc2)c2F)n1)(=O)=O

InChI

InChI=1S/C22H22FN3O4S/c1-14-6-8-16(9-7-14)31(28,29)21-22(26-12-10-15(11-13-26)19(24)27)30-20(25-21)17-4-2-3-5-18(17)23/h2-9,15H,10-13H2,1H3,(H2,24,27)

InChI Key

MSCUWXXPRDLVLC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04512562

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.348

Distribution Coefficient, logD

3.348

Water Solubility, LogSw

-3.66

Polar Surface Area

85.538

Acid Dissociation Constant (pKa)

14.92

Base Dissociation Constant (pKb)

4.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

D072-1681 in Drug Discovery

Included in Screening Libraries

Macl-GPIb alpha Interaction Library (22969 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with D072-1681 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D072-1681?
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What is the minimum amount of D072-1681 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D072-1681
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D072-1681
  • 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 D072-1681 available by request