S695-1997 Screening compound: 3-(4-methoxyphenyl)-1-[3-(2-methyl-1H-imidazol-1-yl)azetidin-1-yl]propan-1-one

S695-1997 Screening compound: 3-(4-methoxyphenyl)-1-[3-(2-methyl-1H-imidazol-1-yl)azetidin-1-yl]propan-1-one
S695-1997 Screening compound: 3-(4-methoxyphenyl)-1-[3-(2-methyl-1H-imidazol-1-yl)azetidin-1-yl]propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S695-1997
3-(4-methoxyphenyl)-1-[3-(2-methyl-1H-imidazol-1-yl)azetidin-1-yl]propan-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

S695-1997

Molecular Formula

C17H21N3O2 (C17 H21 N3 O2)

Compound Name

3-(4-methoxyphenyl)-1-[3-(2-methyl-1H-imidazol-1-yl)azetidin-1-yl]propan-1-one

IUPAC name

3-(4-methoxyphenyl)-1-[3-(2-methyl-1H-imidazol-1-yl)azetidin-1-yl]propan-1-one

SMILES

Cc1nccn1C(C1)CN1C(CCc(cc1)ccc1OC)=O

InChI

InChI=1S/C17H21N3O2/c1-13-18-9-10-20(13)15-11-19(12-15)17(21)8-5-14-3-6-16(22-2)7-4-14/h3-4,6-7,9-10,15H,5,8,11-12H2,1-2H3

InChI Key

DJISHZHGBJWPKX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31964264

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

299.37

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.441

Distribution Coefficient, logD

0.128

Water Solubility, LogSw

-1.68

Polar Surface Area

36.488

Acid Dissociation Constant (pKa)

22.47

Base Dissociation Constant (pKb)

8.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.18

S695-1997 in Drug Discovery

Included in Screening Libraries

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 S695-1997 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S695-1997?
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What is the minimum amount of S695-1997 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S695-1997
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S695-1997
  • 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 S695-1997 available by request