CM4697-2626 Screening compound: 1-(3-{[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]methyl}azetidin-1-yl)-2-(4-fluorophenyl)ethan-1-one

CM4697-2626 Screening compound: 1-(3-{[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]methyl}azetidin-1-yl)-2-(4-fluorophenyl)ethan-1-one
CM4697-2626 Screening compound: 1-(3-{[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]methyl}azetidin-1-yl)-2-(4-fluorophenyl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound CM4697-2626
1-(3-{[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]methyl}azetidin-1-yl)-2-(4-fluorophenyl)ethan-1-one

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

CM4697-2626

Molecular Formula

C18H21FN4O (C18 H21 FN4 O)

Compound Name

1-(3-{[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]methyl}azetidin-1-yl)-2-(4-fluorophenyl)ethan-1-one

IUPAC name

1-(3-{[4-(cyclopropylmethyl)-4H-124-triazol-3-yl]methyl}azetidin-1-yl)-2-(4-fluorophenyl)ethan-1-one

SMILES

O=C(Cc(cc1)ccc1F)N1CC(Cc2nncn2CC2CC2)C1

InChI

InChI=1S/C18H21FN4O/c19-16-5-3-13(4-6-16)8-18(24)22-10-15(11-22)7-17-21-20-12-23(17)9-14-1-2-14/h3-6,12,14-15H,1-2,7-11H2

InChI Key

RZSJUMLQHXZUAU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD30459260

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

328.39

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.031

Distribution Coefficient, logD

2.031

Water Solubility, LogSw

-2.27

Polar Surface Area

42.141

Acid Dissociation Constant (pKa)

17.16

Base Dissociation Constant (pKb)

4.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

CM4697-2626 in Drug Discovery

Included in Screening Libraries

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with CM4697-2626 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound CM4697-2626?
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What is the minimum amount of CM4697-2626 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for CM4697-2626
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for CM4697-2626
  • 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 CM4697-2626 available by request