6641-0203 Screening compound: N-[2-(1H-1,3-benzodiazol-2-yl)ethyl]-2-[(3-bromophenyl)formamido]acetamide

6641-0203 Screening compound: N-[2-(1H-1,3-benzodiazol-2-yl)ethyl]-2-[(3-bromophenyl)formamido]acetamide
6641-0203 Screening compound: N-[2-(1H-1,3-benzodiazol-2-yl)ethyl]-2-[(3-bromophenyl)formamido]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6641-0203
N-[2-(1H-1,3-benzodiazol-2-yl)ethyl]-2-[(3-bromophenyl)formamido]acetamide

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

6641-0203

Molecular Formula

C18H17BrN4O2 (C18 H17 BrN4 O2)

Compound Name

N-[2-(1H-1,3-benzodiazol-2-yl)ethyl]-2-[(3-bromophenyl)formamido]acetamide

IUPAC name

N-[2-(1H-13-benzodiazol-2-yl)ethyl]-2-[(3-bromophenyl)formamido]acetamide

SMILES

O=C(CNC(c1cccc(Br)c1)=O)NCCc1nc(cccc2)c2[nH]1

InChI

InChI=1S/C18H17BrN4O2/c19-13-5-3-4-12(10-13)18(25)21-11-17(24)20-9-8-16-22-14-6-1-2-7-15(14)23-16/h1-7,10H,8-9,11H2,(H,20,24)(H,21,25)(H,22,23)

InChI Key

KRCRLAXHOVRZED-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04167476

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.26

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.950

Distribution Coefficient, logD

2.936

Water Solubility, LogSw

-3.37

Polar Surface Area

69.246

Acid Dissociation Constant (pKa)

11.59

Base Dissociation Constant (pKb)

5.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

6641-0203 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 6641-0203 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6641-0203?
Check Price and Availability of 6641-0203, 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 6641-0203 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6641-0203
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6641-0203
  • 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 6641-0203 available by request