F465-1036 Screening compound: N-benzyl-2-{[5-(3-bromophenyl)-1,3-oxazol-2-yl]sulfanyl}propanamide

F465-1036 Screening compound: N-benzyl-2-{[5-(3-bromophenyl)-1,3-oxazol-2-yl]sulfanyl}propanamide
F465-1036 Screening compound: N-benzyl-2-{[5-(3-bromophenyl)-1,3-oxazol-2-yl]sulfanyl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F465-1036
N-benzyl-2-{[5-(3-bromophenyl)-1,3-oxazol-2-yl]sulfanyl}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

F465-1036

Molecular Formula

C19H17BrN2O2S (C19 H17 BrN2 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C(NCc1ccccc1)=O)Sc1ncc(-c2cccc(Br)c2)o1

InChI

InChI=1S/C19H17BrN2O2S/c1-13(18(23)21-11-14-6-3-2-4-7-14)25-19-22-12-17(24-19)15-8-5-9-16(20)10-15/h2-10,12-13H,11H2,1H3,(H,21,23)/t13-/m0/s1

InChI Key

CNAXESIMXHYBFR-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD11996740

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.33

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

4.738

Distribution Coefficient, logD

4.738

Water Solubility, LogSw

-4.39

Polar Surface Area

41.957

Acid Dissociation Constant (pKa)

13.06

Base Dissociation Constant (pKb)

1.30

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.80

F465-1036 in Drug Discovery

Included in Screening Libraries

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

GABA Library (7115 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with F465-1036 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F465-1036?
Check Price and Availability of F465-1036, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of F465-1036 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F465-1036
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F465-1036
  • 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 F465-1036 available by request