F465-0994 Screening compound: 2-{[5-(3-bromophenyl)-1,3-oxazol-2-yl]sulfanyl}-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethan-1-one

F465-0994 Screening compound: 2-{[5-(3-bromophenyl)-1,3-oxazol-2-yl]sulfanyl}-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethan-1-one
F465-0994 Screening compound: 2-{[5-(3-bromophenyl)-1,3-oxazol-2-yl]sulfanyl}-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F465-0994
2-{[5-(3-bromophenyl)-1,3-oxazol-2-yl]sulfanyl}-1-[4-(4-methoxyphenyl)piperazin-1-yl]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

F465-0994

Molecular Formula

C22H22BrN3O3S (C22 H22 BrN3 O3 S)

Compound Name

2-{[5-(3-bromophenyl)-1,3-oxazol-2-yl]sulfanyl}-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethan-1-one

IUPAC name

2-{[5-(3-bromophenyl)-13-oxazol-2-yl]sulfanyl}-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethan-1-one

SMILES

COc(cc1)ccc1N(CC1)CCN1C(CSc1ncc(-c2cccc(Br)c2)o1)=O

InChI

InChI=1S/C22H22BrN3O3S/c1-28-19-7-5-18(6-8-19)25-9-11-26(12-10-25)21(27)15-30-22-24-14-20(29-22)16-3-2-4-17(23)13-16/h2-8,13-14H,9-12,15H2,1H3

InChI Key

YUVBRXQBDDUFFR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD16636421

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.734

Distribution Coefficient, logD

4.734

Water Solubility, LogSw

-4.52

Polar Surface Area

44.468

Acid Dissociation Constant (pKa)

20.62

Base Dissociation Constant (pKb)

6.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

References: we are preparing a list of scientific research reports with F465-0994 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F465-0994?
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What is the minimum amount of F465-0994 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F465-0994
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F465-0994
  • 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 F465-0994 available by request