CM4297-5154 Screening compound: 2-methyl-5-{3-[3-(oxolan-2-yl)-4H-1,2,4-triazol-4-yl]azetidine-1-carbonyl}pyrazine

CM4297-5154 Screening compound: 2-methyl-5-{3-[3-(oxolan-2-yl)-4H-1,2,4-triazol-4-yl]azetidine-1-carbonyl}pyrazine
CM4297-5154 Screening compound: 2-methyl-5-{3-[3-(oxolan-2-yl)-4H-1,2,4-triazol-4-yl]azetidine-1-carbonyl}pyrazine alternative view

Chemical Structure Depiction of ChemDiv screening compound CM4297-5154
2-methyl-5-{3-[3-(oxolan-2-yl)-4H-1,2,4-triazol-4-yl]azetidine-1-carbonyl}pyrazine

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

CM4297-5154

Molecular Formula

C15H18N6O2 (C15 H18 N6 O2)

Compound Name

2-methyl-5-{3-[3-(oxolan-2-yl)-4H-1,2,4-triazol-4-yl]azetidine-1-carbonyl}pyrazine

IUPAC name

2-methyl-5-{3-[3-(oxolan-2-yl)-4H-124-triazol-4-yl]azetidine-1-carbonyl}pyrazine

SMILES

Cc(nc1)cnc1C(N(C1)CC1n1c(C2OCCC2)nnc1)=O

InChI

InChI=1S/C15H18N6O2/c1-10-5-17-12(6-16-10)15(22)20-7-11(8-20)21-9-18-19-14(21)13-3-2-4-23-13/h5-6,9,11,13H,2-4,7-8H2,1H3/t13-/m0/s1

InChI Key

YIUSDMRTIKNBQF-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD30459971

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

314.35

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

-0.638

Distribution Coefficient, logD

-0.639

Water Solubility, LogSw

-0.60

Polar Surface Area

67.763

Acid Dissociation Constant (pKa)

18.60

Base Dissociation Constant (pKb)

4.18

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

53.33

CM4297-5154 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with CM4297-5154 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound CM4297-5154?
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What is the minimum amount of CM4297-5154 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for CM4297-5154
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for CM4297-5154
  • 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 CM4297-5154 available by request