S738-1028 Screening compound: 1-{3-[1-(cyclopropylmethyl)-5-methyl-1H-imidazol-2-yl]azetidin-1-yl}-2-(4-fluorophenoxy)ethan-1-one

S738-1028 Screening compound: 1-{3-[1-(cyclopropylmethyl)-5-methyl-1H-imidazol-2-yl]azetidin-1-yl}-2-(4-fluorophenoxy)ethan-1-one
S738-1028 Screening compound: 1-{3-[1-(cyclopropylmethyl)-5-methyl-1H-imidazol-2-yl]azetidin-1-yl}-2-(4-fluorophenoxy)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S738-1028
1-{3-[1-(cyclopropylmethyl)-5-methyl-1H-imidazol-2-yl]azetidin-1-yl}-2-(4-fluorophenoxy)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

S738-1028

Molecular Formula

C19H22FN3O2 (C19 H22 FN3 O2)

Compound Name

1-{3-[1-(cyclopropylmethyl)-5-methyl-1H-imidazol-2-yl]azetidin-1-yl}-2-(4-fluorophenoxy)ethan-1-one

IUPAC name

1-{3-[1-(cyclopropylmethyl)-5-methyl-1H-imidazol-2-yl]azetidin-1-yl}-2-(4-fluorophenoxy)ethan-1-one

SMILES

Cc1cnc(C(C2)CN2C(COc(cc2)ccc2F)=O)n1CC1CC1

InChI

InChI=1S/C19H22FN3O2/c1-13-8-21-19(23(13)9-14-2-3-14)15-10-22(11-15)18(24)12-25-17-6-4-16(20)5-7-17/h4-8,14-15H,2-3,9-12H2,1H3

InChI Key

UBWUIWZBWYSMCQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31993871

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

343.4

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

2.434

Distribution Coefficient, logD

1.088

Water Solubility, LogSw

-2.34

Polar Surface Area

35.493

Acid Dissociation Constant (pKa)

24.00

Base Dissociation Constant (pKb)

8.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.37

S738-1028 in Drug Discovery

Included in Screening Libraries

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

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with S738-1028 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S738-1028?
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What is the minimum amount of S738-1028 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S738-1028
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S738-1028
  • 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 S738-1028 available by request