4483-0564 Screening compound: butyl 3-(5,6-dichloro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)benzoate

4483-0564 Screening compound: butyl 3-(5,6-dichloro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)benzoate
4483-0564 Screening compound: butyl 3-(5,6-dichloro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4483-0564
butyl 3-(5,6-dichloro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)benzoate

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

4483-0564

Molecular Formula

C19H15Cl2NO4 (C19 H15 Cl2 NO4)

Compound Name

butyl 3-(5,6-dichloro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)benzoate

IUPAC name

butyl 3-(56-dichloro-13-dioxo-23-dihydro-1H-isoindol-2-yl)benzoate

SMILES

CCCCOC(c1cccc(N(C(c(c2c3)cc(Cl)c3Cl)=O)C2=O)c1)=O

InChI

InChI=1S/C19H15Cl2NO4/c1-2-3-7-26-19(25)11-5-4-6-12(8-11)22-17(23)13-9-15(20)16(21)10-14(13)18(22)24/h4-6,8-10H,2-3,7H2,1H3

InChI Key

SDEFCLWMIICZGS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00689995

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.24

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.002

Distribution Coefficient, logD

6.002

Water Solubility, LogSw

-6.12

Polar Surface Area

49.928

Acid Dissociation Constant (pKa)

28.16

Base Dissociation Constant (pKb)

-9.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

4483-0564 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4483-0564 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4483-0564?
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What is the minimum amount of 4483-0564 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4483-0564
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4483-0564
  • 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 4483-0564 available by request