S694-0642 Screening compound: 1-[3-(2-cyclopropyl-5-methyl-1H-imidazol-1-yl)pyrrolidin-1-yl]-2-(4-fluorophenoxy)ethan-1-one

S694-0642 Screening compound: 1-[3-(2-cyclopropyl-5-methyl-1H-imidazol-1-yl)pyrrolidin-1-yl]-2-(4-fluorophenoxy)ethan-1-one
S694-0642 Screening compound: 1-[3-(2-cyclopropyl-5-methyl-1H-imidazol-1-yl)pyrrolidin-1-yl]-2-(4-fluorophenoxy)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S694-0642
1-[3-(2-cyclopropyl-5-methyl-1H-imidazol-1-yl)pyrrolidin-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

S694-0642

Molecular Formula

C19H22FN3O2 (C19 H22 FN3 O2)

Compound Name

1-[3-(2-cyclopropyl-5-methyl-1H-imidazol-1-yl)pyrrolidin-1-yl]-2-(4-fluorophenoxy)ethan-1-one

IUPAC name

1-[3-(2-cyclopropyl-5-methyl-1H-imidazol-1-yl)pyrrolidin-1-yl]-2-(4-fluorophenoxy)ethan-1-one

SMILES

Cc1cnc(C2CC2)n1C(CC1)CN1C(COc(cc1)ccc1F)=O

InChI

InChI=1S/C19H22FN3O2/c1-13-10-21-19(14-2-3-14)23(13)16-8-9-22(11-16)18(24)12-25-17-6-4-15(20)5-7-17/h4-7,10,14,16H,2-3,8-9,11-12H2,1H3/t16-/m1/s1

InChI Key

CFZSKRHHBYAUAO-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD31996257

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

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.212

Distribution Coefficient, logD

-1.609

Water Solubility, LogSw

-2.18

Polar Surface Area

35.978

Acid Dissociation Constant (pKa)

23.63

Base Dissociation Constant (pKb)

11.22

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.37

References: we are preparing a list of scientific research reports with S694-0642 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S694-0642?
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What is the minimum amount of S694-0642 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S694-0642
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S694-0642
  • 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 S694-0642 available by request