7849-1205 Screening compound: 5-bromo-N-[6-(3-methoxyphenoxy)pyridin-3-yl]-1-benzofuran-2-carboxamide

7849-1205 Screening compound: 5-bromo-N-[6-(3-methoxyphenoxy)pyridin-3-yl]-1-benzofuran-2-carboxamide
7849-1205 Screening compound: 5-bromo-N-[6-(3-methoxyphenoxy)pyridin-3-yl]-1-benzofuran-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7849-1205
5-bromo-N-[6-(3-methoxyphenoxy)pyridin-3-yl]-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

7849-1205

Molecular Formula

C21H15BrN2O4 (C21 H15 BrN2 O4)

Compound Name

5-bromo-N-[6-(3-methoxyphenoxy)pyridin-3-yl]-1-benzofuran-2-carboxamide

IUPAC name

5-bromo-N-[6-(3-methoxyphenoxy)pyridin-3-yl]-1-benzofuran-2-carboxamide

SMILES

COc1cccc(Oc(cc2)ncc2NC(c2cc(cc(cc3)Br)c3o2)=O)c1

InChI

InChI=1S/C21H15BrN2O4/c1-26-16-3-2-4-17(11-16)27-20-8-6-15(12-23-20)24-21(25)19-10-13-9-14(22)5-7-18(13)28-19/h2-12H,1H3,(H,24,25)

InChI Key

NDNMWDSHJRGWDX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14713055

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.27

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.256

Distribution Coefficient, logD

5.256

Water Solubility, LogSw

-5.12

Polar Surface Area

54.952

Acid Dissociation Constant (pKa)

10.91

Base Dissociation Constant (pKb)

0.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

7849-1205 in Drug Discovery

Included in Screening Libraries

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

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 7849-1205 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7849-1205?
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What is the minimum amount of 7849-1205 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7849-1205
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7849-1205
  • 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 7849-1205 available by request