6466-0364 Screening compound: 2-{[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-[3-(1H-imidazol-1-yl)propyl]acetamide

6466-0364 Screening compound: 2-{[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-[3-(1H-imidazol-1-yl)propyl]acetamide
6466-0364 Screening compound: 2-{[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-[3-(1H-imidazol-1-yl)propyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6466-0364
2-{[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-[3-(1H-imidazol-1-yl)propyl]acetamide

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

6466-0364

Molecular Formula

C19H17F4N5OS (C19 H17 F4 N5 OS)

Compound Name

2-{[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-[3-(1H-imidazol-1-yl)propyl]acetamide

IUPAC name

2-{[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-[3-(1H-imidazol-1-yl)propyl]acetamide

SMILES

O=C(CSc1nc(-c(cc2)ccc2F)cc(C(F)(F)F)n1)NCCCn1cncc1

InChI

InChI=1S/C19H17F4N5OS/c20-14-4-2-13(3-5-14)15-10-16(19(21,22)23)27-18(26-15)30-11-17(29)25-6-1-8-28-9-7-24-12-28/h2-5,7,9-10,12H,1,6,8,11H2,(H,25,29)

InChI Key

KLPUBLDDUQZNOK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02735834

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.108

Distribution Coefficient, logD

2.866

Water Solubility, LogSw

-3.30

Polar Surface Area

54.102

Acid Dissociation Constant (pKa)

15.37

Base Dissociation Constant (pKb)

7.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

References: we are preparing a list of scientific research reports with 6466-0364 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6466-0364?
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What is the minimum amount of 6466-0364 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6466-0364
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6466-0364
  • 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 6466-0364 available by request