S738-1068 Screening compound: 4-{3-[1-(cyclopropylmethyl)-5-methyl-1H-imidazol-2-yl]azetidine-1-carbonyl}pyridine

S738-1068 Screening compound: 4-{3-[1-(cyclopropylmethyl)-5-methyl-1H-imidazol-2-yl]azetidine-1-carbonyl}pyridine
S738-1068 Screening compound: 4-{3-[1-(cyclopropylmethyl)-5-methyl-1H-imidazol-2-yl]azetidine-1-carbonyl}pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound S738-1068
4-{3-[1-(cyclopropylmethyl)-5-methyl-1H-imidazol-2-yl]azetidine-1-carbonyl}pyridine

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

S738-1068

Molecular Formula

C17H20N4O (C17 H20 N4 O)

Compound Name

4-{3-[1-(cyclopropylmethyl)-5-methyl-1H-imidazol-2-yl]azetidine-1-carbonyl}pyridine

IUPAC name

4-{3-[1-(cyclopropylmethyl)-5-methyl-1H-imidazol-2-yl]azetidine-1-carbonyl}pyridine

SMILES

Cc1cnc(C(C2)CN2C(c2ccncc2)=O)n1CC1CC1

InChI

InChI=1S/C17H20N4O/c1-12-8-19-16(21(12)9-13-2-3-13)15-10-20(11-15)17(22)14-4-6-18-7-5-14/h4-8,13,15H,2-3,9-11H2,1H3

InChI Key

MKTIPKOEXAXCTG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31967787

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

296.37

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.343

Distribution Coefficient, logD

1.075

Water Solubility, LogSw

-0.99

Polar Surface Area

37.949

Acid Dissociation Constant (pKa)

25.05

Base Dissociation Constant (pKb)

7.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.06

S738-1068 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with S738-1068 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S738-1068?
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What is the minimum amount of S738-1068 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S738-1068
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S738-1068
  • 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 S738-1068 available by request