D062-0780 Screening compound: 6-bromo-N-[(3-chlorophenyl)methyl]-N-[(furan-2-yl)methyl]-3-methyl-1-benzofuran-2-carboxamide

D062-0780 Screening compound: 6-bromo-N-[(3-chlorophenyl)methyl]-N-[(furan-2-yl)methyl]-3-methyl-1-benzofuran-2-carboxamide
D062-0780 Screening compound: 6-bromo-N-[(3-chlorophenyl)methyl]-N-[(furan-2-yl)methyl]-3-methyl-1-benzofuran-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D062-0780
6-bromo-N-[(3-chlorophenyl)methyl]-N-[(furan-2-yl)methyl]-3-methyl-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

D062-0780

Molecular Formula

C22H17BrClNO3 (C22 H17 BrClNO3)

Compound Name

6-bromo-N-[(3-chlorophenyl)methyl]-N-[(furan-2-yl)methyl]-3-methyl-1-benzofuran-2-carboxamide

IUPAC name

6-bromo-N-[(3-chlorophenyl)methyl]-N-[(furan-2-yl)methyl]-3-methyl-1-benzofuran-2-carboxamide

SMILES

Cc1c(C(N(Cc2ccco2)Cc2cc(Cl)ccc2)=O)oc2c1ccc(Br)c2

InChI

InChI=1S/C22H17BrClNO3/c1-14-19-8-7-16(23)11-20(19)28-21(14)22(26)25(13-18-6-3-9-27-18)12-15-4-2-5-17(24)10-15/h2-11H,12-13H2,1H3

InChI Key

LBRYGRZSKPIAKU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06648797

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.74

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.390

Distribution Coefficient, logD

6.390

Water Solubility, LogSw

-6.29

Polar Surface Area

32.453

Acid Dissociation Constant (pKa)

27.55

Base Dissociation Constant (pKb)

-3.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

References: we are preparing a list of scientific research reports with D062-0780 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D062-0780?
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What is the minimum amount of D062-0780 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D062-0780
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D062-0780
  • 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 D062-0780 available by request