CM3317-2200 Screening compound: 2-{[1-(5-chlorothiophene-2-carbonyl)pyrrolidin-3-yl]methyl}-5-(oxan-4-yl)-1,3,4-oxadiazole

CM3317-2200 Screening compound: 2-{[1-(5-chlorothiophene-2-carbonyl)pyrrolidin-3-yl]methyl}-5-(oxan-4-yl)-1,3,4-oxadiazole
CM3317-2200 Screening compound: 2-{[1-(5-chlorothiophene-2-carbonyl)pyrrolidin-3-yl]methyl}-5-(oxan-4-yl)-1,3,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound CM3317-2200
2-{[1-(5-chlorothiophene-2-carbonyl)pyrrolidin-3-yl]methyl}-5-(oxan-4-yl)-1,3,4-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

CM3317-2200

Molecular Formula

C17H20ClN3O3S (C17 H20 ClN3 O3 S)

Compound Name

2-{[1-(5-chlorothiophene-2-carbonyl)pyrrolidin-3-yl]methyl}-5-(oxan-4-yl)-1,3,4-oxadiazole

IUPAC name

2-{[1-(5-chlorothiophene-2-carbonyl)pyrrolidin-3-yl]methyl}-5-(oxan-4-yl)-134-oxadiazole

SMILES

O=C(c(s1)ccc1Cl)N1CC(Cc2nnc(C3CCOCC3)o2)CC1

InChI

InChI=1S/C17H20ClN3O3S/c18-14-2-1-13(25-14)17(22)21-6-3-11(10-21)9-15-19-20-16(24-15)12-4-7-23-8-5-12/h1-2,11-12H,3-10H2/t11-/m0/s1

InChI Key

HERSILFTTTUAJX-NSHDSACASA-N

MDL Number (MFCD)

MFCD30460115

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.88

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.164

Distribution Coefficient, logD

3.164

Water Solubility, LogSw

-3.30

Polar Surface Area

56.215

Acid Dissociation Constant (pKa)

25.56

Base Dissociation Constant (pKb)

-2.28

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

58.82

CM3317-2200 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with CM3317-2200 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound CM3317-2200?
Check Price and Availability of CM3317-2200, 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 CM3317-2200 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for CM3317-2200
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for CM3317-2200
  • 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 CM3317-2200 available by request