2246-2004 Screening compound: N-(3-acetylphenyl)-5-bromothiophene-2-carboxamide

2246-2004 Screening compound: N-(3-acetylphenyl)-5-bromothiophene-2-carboxamide
2246-2004 Screening compound: N-(3-acetylphenyl)-5-bromothiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2246-2004
N-(3-acetylphenyl)-5-bromothiophene-2-carboxamide

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

2246-2004

Molecular Formula

C13H10BrNO2S (C13 H10 BrNO2 S)

Compound Name

N-(3-acetylphenyl)-5-bromothiophene-2-carboxamide

IUPAC name

N-(3-acetylphenyl)-5-bromothiophene-2-carboxamide

SMILES

CC(c1cccc(NC(c(s2)ccc2Br)=O)c1)=O

InChI

InChI=1S/C13H10BrNO2S/c1-8(16)9-3-2-4-10(7-9)15-13(17)11-5-6-12(14)18-11/h2-7H,1H3,(H,15,17)

InChI Key

MIINNLKAYPKZLE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01931500

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

324.2

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.613

Distribution Coefficient, logD

3.584

Water Solubility, LogSw

-3.74

Polar Surface Area

38.175

Acid Dissociation Constant (pKa)

8.55

Base Dissociation Constant (pKb)

-2.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.70

2246-2004 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 2246-2004 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2246-2004?
Check Price and Availability of 2246-2004, 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 2246-2004 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2246-2004
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2246-2004
  • 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 2246-2004 available by request