1171-0149 Screening compound: 2-[4-(benzyloxy)phenyl]-5,6-dichloro-2,3-dihydro-1H-isoindole-1,3-dione

1171-0149 Screening compound: 2-[4-(benzyloxy)phenyl]-5,6-dichloro-2,3-dihydro-1H-isoindole-1,3-dione
1171-0149 Screening compound: 2-[4-(benzyloxy)phenyl]-5,6-dichloro-2,3-dihydro-1H-isoindole-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 1171-0149
2-[4-(benzyloxy)phenyl]-5,6-dichloro-2,3-dihydro-1H-isoindole-1,3-dione

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

1171-0149

Molecular Formula

C21H13Cl2NO3 (C21 H13 Cl2 NO3)

Compound Name

2-[4-(benzyloxy)phenyl]-5,6-dichloro-2,3-dihydro-1H-isoindole-1,3-dione

IUPAC name

2-[4-(benzyloxy)phenyl]-56-dichloro-23-dihydro-1H-isoindole-13-dione

SMILES

O=C(c(c(C1=O)c2)cc(Cl)c2Cl)N1c(cc1)ccc1OCc1ccccc1

InChI

InChI=1S/C21H13Cl2NO3/c22-18-10-16-17(11-19(18)23)21(26)24(20(16)25)14-6-8-15(9-7-14)27-12-13-4-2-1-3-5-13/h1-11H,12H2

InChI Key

NRILBZPQYAAPKY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00689959

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.24

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.836

Distribution Coefficient, logD

5.836

Water Solubility, LogSw

-6.16

Polar Surface Area

36.107

Acid Dissociation Constant (pKa)

29.40

Base Dissociation Constant (pKb)

-6.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

1171-0149 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with 1171-0149 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1171-0149?
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What is the minimum amount of 1171-0149 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1171-0149
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1171-0149
  • 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 1171-0149 available by request