1082-0627 Screening compound: pentyl 2-(3,4-dichlorophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate

1082-0627 Screening compound: pentyl 2-(3,4-dichlorophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate
1082-0627 Screening compound: pentyl 2-(3,4-dichlorophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1082-0627
pentyl 2-(3,4-dichlorophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate

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

1082-0627

Molecular Formula

C20H17Cl2NO4 (C20 H17 Cl2 NO4)

Compound Name

pentyl 2-(3,4-dichlorophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate

IUPAC name

pentyl 2-(34-dichlorophenyl)-13-dioxo-23-dihydro-1H-isoindole-5-carboxylate

SMILES

CCCCCOC(c(cc1)cc(C(N2c(cc3)cc(Cl)c3Cl)=O)c1C2=O)=O

InChI

InChI=1S/C20H17Cl2NO4/c1-2-3-4-9-27-20(26)12-5-7-14-15(10-12)19(25)23(18(14)24)13-6-8-16(21)17(22)11-13/h5-8,10-11H,2-4,9H2,1H3

InChI Key

VYMZOAXTAAHOCZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00355643

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.26

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.341

Distribution Coefficient, logD

6.341

Water Solubility, LogSw

-6.25

Polar Surface Area

49.928

Acid Dissociation Constant (pKa)

27.87

Base Dissociation Constant (pKb)

-9.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

1082-0627 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1082-0627 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1082-0627?
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What is the minimum amount of 1082-0627 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1082-0627
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1082-0627
  • 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 1082-0627 available by request