5974-3169 Screening compound: N-(3-bromophenyl)-4-(thietan-3-yloxy)benzamide

5974-3169 Screening compound: N-(3-bromophenyl)-4-(thietan-3-yloxy)benzamide
5974-3169 Screening compound: N-(3-bromophenyl)-4-(thietan-3-yloxy)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5974-3169
N-(3-bromophenyl)-4-(thietan-3-yloxy)benzamide

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

5974-3169

Molecular Formula

C16H14BrNO2S (C16 H14 BrNO2 S)

Compound Name

N-(3-bromophenyl)-4-(thietan-3-yloxy)benzamide

IUPAC name

N-(3-bromophenyl)-4-(thietan-3-yloxy)benzamide

SMILES

O=C(c(cc1)ccc1OC1CSC1)Nc1cccc(Br)c1

InChI

InChI=1S/C16H14BrNO2S/c17-12-2-1-3-13(8-12)18-16(19)11-4-6-14(7-5-11)20-15-9-21-10-15/h1-8,15H,9-10H2,(H,18,19)

InChI Key

QIEPYOOWVHKPFE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01832772

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.26

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.173

Distribution Coefficient, logD

4.170

Water Solubility, LogSw

-4.37

Polar Surface Area

30.114

Acid Dissociation Constant (pKa)

9.64

Base Dissociation Constant (pKb)

-2.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

5974-3169 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 5974-3169 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5974-3169?
Check Price and Availability of 5974-3169, 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 5974-3169 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5974-3169
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5974-3169
  • 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 5974-3169 available by request