CM2894-3970 Screening compound: 3-{[1-(3,5-difluorobenzenesulfonyl)pyrrolidin-2-yl]methyl}-5-phenyl-1,2,4-oxadiazole

CM2894-3970 Screening compound: 3-{[1-(3,5-difluorobenzenesulfonyl)pyrrolidin-2-yl]methyl}-5-phenyl-1,2,4-oxadiazole
CM2894-3970 Screening compound: 3-{[1-(3,5-difluorobenzenesulfonyl)pyrrolidin-2-yl]methyl}-5-phenyl-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound CM2894-3970
3-{[1-(3,5-difluorobenzenesulfonyl)pyrrolidin-2-yl]methyl}-5-phenyl-1,2,4-oxadiazole

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

CM2894-3970

Molecular Formula

C19H17F2N3O3S (C19 H17 F2 N3 O3 S)

Compound Name

3-{[1-(3,5-difluorobenzenesulfonyl)pyrrolidin-2-yl]methyl}-5-phenyl-1,2,4-oxadiazole

IUPAC name

3-{[1-(35-difluorobenzenesulfonyl)pyrrolidin-2-yl]methyl}-5-phenyl-124-oxadiazole

SMILES

O=S(c1cc(F)cc(F)c1)(N1C(Cc2noc(-c3ccccc3)n2)CCC1)=O

InChI

InChI=1S/C19H17F2N3O3S/c20-14-9-15(21)11-17(10-14)28(25,26)24-8-4-7-16(24)12-18-22-19(27-23-18)13-5-2-1-3-6-13/h1-3,5-6,9-11,16H,4,7-8,12H2/t16-/m1/s1

InChI Key

ALHKNCWNGLDDCF-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD30458287

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.879

Distribution Coefficient, logD

3.879

Water Solubility, LogSw

-4.02

Polar Surface Area

65.135

Acid Dissociation Constant (pKa)

25.63

Base Dissociation Constant (pKb)

-4.60

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.32

CM2894-3970 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with CM2894-3970 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound CM2894-3970?
Check Price and Availability of CM2894-3970, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of CM2894-3970 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for CM2894-3970
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for CM2894-3970
  • 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 CM2894-3970 available by request