2081-0521 Screening compound: 5-bromo-2-iodo-N-[3-methyl-4-(2-oxo-2H-chromen-3-yl)phenyl]benzamide

2081-0521 Screening compound: 5-bromo-2-iodo-N-[3-methyl-4-(2-oxo-2H-chromen-3-yl)phenyl]benzamide
2081-0521 Screening compound: 5-bromo-2-iodo-N-[3-methyl-4-(2-oxo-2H-chromen-3-yl)phenyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2081-0521
5-bromo-2-iodo-N-[3-methyl-4-(2-oxo-2H-chromen-3-yl)phenyl]benzamide

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

2081-0521

Molecular Formula

C23H15BrINO3 (C23 H15 BrINO3)

Compound Name

5-bromo-2-iodo-N-[3-methyl-4-(2-oxo-2H-chromen-3-yl)phenyl]benzamide

IUPAC name

5-bromo-2-iodo-N-[3-methyl-4-(2-oxo-2H-chromen-3-yl)phenyl]benzamide

SMILES

Cc(cc(cc1)NC(c(cc(cc2)Br)c2I)=O)c1C1=Cc(cccc2)c2OC1=O

InChI

InChI=1S/C23H15BrINO3/c1-13-10-16(26-22(27)19-12-15(24)6-9-20(19)25)7-8-17(13)18-11-14-4-2-3-5-21(14)29-23(18)28/h2-12H,1H3,(H,26,27)

InChI Key

LWHDQPXILGXKTB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01145216

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

560.19

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.254

Distribution Coefficient, logD

6.226

Water Solubility, LogSw

-5.59

Polar Surface Area

43.980

Acid Dissociation Constant (pKa)

8.59

Base Dissociation Constant (pKb)

-4.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.30

2081-0521 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human GPCR Annotated Library (5539 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 2081-0521 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2081-0521?
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What is the minimum amount of 2081-0521 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2081-0521
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2081-0521
  • 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 2081-0521 available by request