C761-1402 Screening compound: N~1~-(4-bromophenyl)-N~1~-(1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl)-2-phenoxypropanamide

C761-1402 Screening compound: N~1~-(4-bromophenyl)-N~1~-(1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl)-2-phenoxypropanamide
C761-1402 Screening compound: N~1~-(4-bromophenyl)-N~1~-(1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl)-2-phenoxypropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C761-1402
N~1~-(4-bromophenyl)-N~1~-(1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl)-2-phenoxypropanamide

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

C761-1402

Molecular Formula

C19H18BrNO4S (C19 H18 BrNO4 S)

Compound Name

N~1~-(4-bromophenyl)-N~1~-(1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl)-2-phenoxypropanamide

IUPAC name

N-(4-bromophenyl)-N-(11-dioxo-23-dihydro-1lambda6-thiophen-3-yl)-2-phenoxypropanamide

SMILES

CC(C(N(C(C1)C=CS1(=O)=O)c(cc1)ccc1Br)=O)Oc1ccccc1

InChI

InChI=1S/C19H18BrNO4S/c1-14(25-18-5-3-2-4-6-18)19(22)21(16-9-7-15(20)8-10-16)17-11-12-26(23,24)13-17/h2-12,14,17H,13H2,1H3

InChI Key

AOJKHWVQNXYHDN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05898791

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.33

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.312

Distribution Coefficient, logD

3.312

Water Solubility, LogSw

-3.65

Polar Surface Area

50.168

Acid Dissociation Constant (pKa)

21.29

Base Dissociation Constant (pKb)

-4.85

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

21.10

C761-1402 in Drug Discovery

Included in Screening Libraries

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

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with C761-1402 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C761-1402?
Check Price and Availability of C761-1402, 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 C761-1402 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C761-1402
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C761-1402
  • 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 C761-1402 available by request