3617-3702 Screening compound: N-[4-(4-bromobenzamido)-2-methoxyphenyl]-1-benzofuran-2-carboxamide

3617-3702 Screening compound: N-[4-(4-bromobenzamido)-2-methoxyphenyl]-1-benzofuran-2-carboxamide
3617-3702 Screening compound: N-[4-(4-bromobenzamido)-2-methoxyphenyl]-1-benzofuran-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3617-3702
N-[4-(4-bromobenzamido)-2-methoxyphenyl]-1-benzofuran-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

3617-3702

Molecular Formula

C23H17BrN2O4 (C23 H17 BrN2 O4)

Compound Name

N-[4-(4-bromobenzamido)-2-methoxyphenyl]-1-benzofuran-2-carboxamide

IUPAC name

N-[4-(4-bromobenzamido)-2-methoxyphenyl]-1-benzofuran-2-carboxamide

SMILES

COc(cc(cc1)NC(c(cc2)ccc2Br)=O)c1NC(c1cc(cccc2)c2o1)=O

InChI

InChI=1S/C23H17BrN2O4/c1-29-20-13-17(25-22(27)14-6-8-16(24)9-7-14)10-11-18(20)26-23(28)21-12-15-4-2-3-5-19(15)30-21/h2-13H,1H3,(H,25,27)(H,26,28)

InChI Key

QXIXDMVTJWWTES-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02623975

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.3

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.700

Distribution Coefficient, logD

5.693

Water Solubility, LogSw

-6.47

Polar Surface Area

61.646

Acid Dissociation Constant (pKa)

9.18

Base Dissociation Constant (pKb)

1.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.30

3617-3702 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 compounds)

Dark Chemical Matter Library (18430 compounds)

Human Ion Channels Annotated Library (353 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with 3617-3702 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3617-3702?
Check Price and Availability of 3617-3702, 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 3617-3702 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3617-3702
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3617-3702
  • 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 3617-3702 available by request