CM4297-4921 Screening compound: 3-(oxolan-2-yl)-4-[1-(thiophene-2-carbonyl)azetidin-3-yl]-4H-1,2,4-triazole

CM4297-4921 Screening compound: 3-(oxolan-2-yl)-4-[1-(thiophene-2-carbonyl)azetidin-3-yl]-4H-1,2,4-triazole
CM4297-4921 Screening compound: 3-(oxolan-2-yl)-4-[1-(thiophene-2-carbonyl)azetidin-3-yl]-4H-1,2,4-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound CM4297-4921
3-(oxolan-2-yl)-4-[1-(thiophene-2-carbonyl)azetidin-3-yl]-4H-1,2,4-triazole

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

CM4297-4921

Molecular Formula

C14H16N4O2S (C14 H16 N4 O2 S)

Compound Name

3-(oxolan-2-yl)-4-[1-(thiophene-2-carbonyl)azetidin-3-yl]-4H-1,2,4-triazole

IUPAC name

3-(oxolan-2-yl)-4-[1-(thiophene-2-carbonyl)azetidin-3-yl]-4H-124-triazole

SMILES

O=C(c1cccs1)N(C1)CC1n1c(C2OCCC2)nnc1

InChI

InChI=1S/C14H16N4O2S/c19-14(12-4-2-6-21-12)17-7-10(8-17)18-9-15-16-13(18)11-3-1-5-20-11/h2,4,6,9-11H,1,3,5,7-8H2/t11-/m0/s1

InChI Key

XXNYHVXQPYGCJC-NSHDSACASA-N

MDL Number (MFCD)

MFCD30459974

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

304.37

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.617

Distribution Coefficient, logD

0.616

Water Solubility, LogSw

-1.72

Polar Surface Area

50.700

Acid Dissociation Constant (pKa)

18.60

Base Dissociation Constant (pKb)

4.18

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

CM4297-4921 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with CM4297-4921 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound CM4297-4921?
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What is the minimum amount of CM4297-4921 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for CM4297-4921
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for CM4297-4921
  • 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 CM4297-4921 available by request