S738-1147 Screening compound: 1-(cyclopropylmethyl)-2-{1-[(2,4-difluorophenyl)methyl]azetidin-3-yl}-5-methyl-1H-imidazole

S738-1147 Screening compound: 1-(cyclopropylmethyl)-2-{1-[(2,4-difluorophenyl)methyl]azetidin-3-yl}-5-methyl-1H-imidazole
S738-1147 Screening compound: 1-(cyclopropylmethyl)-2-{1-[(2,4-difluorophenyl)methyl]azetidin-3-yl}-5-methyl-1H-imidazole alternative view

Chemical Structure Depiction of ChemDiv screening compound S738-1147
1-(cyclopropylmethyl)-2-{1-[(2,4-difluorophenyl)methyl]azetidin-3-yl}-5-methyl-1H-imidazole

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

S738-1147

Molecular Formula

C18H21F2N3 (C18 H21 F2 N3)

Compound Name

1-(cyclopropylmethyl)-2-{1-[(2,4-difluorophenyl)methyl]azetidin-3-yl}-5-methyl-1H-imidazole

IUPAC name

1-(cyclopropylmethyl)-2-{1-[(24-difluorophenyl)methyl]azetidin-3-yl}-5-methyl-1H-imidazole

SMILES

Cc1cnc(C2CN(Cc(ccc(F)c3)c3F)C2)n1CC1CC1

InChI

InChI=1S/C18H21F2N3/c1-12-7-21-18(23(12)8-13-2-3-13)15-10-22(11-15)9-14-4-5-16(19)6-17(14)20/h4-7,13,15H,2-3,8-11H2,1H3

InChI Key

PNBMRJBTUFYYMS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32227217

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

317.38

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.479

Distribution Coefficient, logD

1.743

Water Solubility, LogSw

-3.16

Polar Surface Area

15.605

Acid Dissociation Constant (pKa)

25.05

Base Dissociation Constant (pKb)

9.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

S738-1147 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS BBB Library (22607 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with S738-1147 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S738-1147?
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What is the minimum amount of S738-1147 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S738-1147
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S738-1147
  • 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 S738-1147 available by request