F465-1021 Screening compound: 2-{[5-(3-bromophenyl)-1,3-oxazol-2-yl]sulfanyl}-N-[(thiophen-2-yl)methyl]propanamide

F465-1021 Screening compound: 2-{[5-(3-bromophenyl)-1,3-oxazol-2-yl]sulfanyl}-N-[(thiophen-2-yl)methyl]propanamide
F465-1021 Screening compound: 2-{[5-(3-bromophenyl)-1,3-oxazol-2-yl]sulfanyl}-N-[(thiophen-2-yl)methyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F465-1021
2-{[5-(3-bromophenyl)-1,3-oxazol-2-yl]sulfanyl}-N-[(thiophen-2-yl)methyl]propanamide

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

F465-1021

Molecular Formula

C17H15BrN2O2S2 (C17 H15 BrN2 O2 S2)

Compound Name

2-{[5-(3-bromophenyl)-1,3-oxazol-2-yl]sulfanyl}-N-[(thiophen-2-yl)methyl]propanamide

IUPAC name

2-{[5-(3-bromophenyl)-13-oxazol-2-yl]sulfanyl}-N-[(thiophen-2-yl)methyl]propanamide

SMILES

CC(C(NCc1cccs1)=O)Sc1ncc(-c2cccc(Br)c2)o1

InChI

InChI=1S/C17H15BrN2O2S2/c1-11(16(21)19-9-14-6-3-7-23-14)24-17-20-10-15(22-17)12-4-2-5-13(18)8-12/h2-8,10-11H,9H2,1H3,(H,19,21)/t11-/m0/s1

InChI Key

BACMVZKQZAXPEG-NSHDSACASA-N

MDL Number (MFCD)

MFCD27131477

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.35

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.713

Distribution Coefficient, logD

4.713

Water Solubility, LogSw

-4.30

Polar Surface Area

42.975

Acid Dissociation Constant (pKa)

13.86

Base Dissociation Constant (pKb)

1.30

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.60

F465-1021 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F465-1021 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F465-1021?
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What is the minimum amount of F465-1021 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F465-1021
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F465-1021
  • 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 F465-1021 available by request