1606-0302 Screening compound: methyl 4-{5-[(4-methylphenyl)carbamoyl]-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl}benzoate

1606-0302 Screening compound: methyl 4-{5-[(4-methylphenyl)carbamoyl]-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl}benzoate
1606-0302 Screening compound: methyl 4-{5-[(4-methylphenyl)carbamoyl]-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1606-0302
methyl 4-{5-[(4-methylphenyl)carbamoyl]-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

1606-0302

Molecular Formula

C24H18N2O5 (C24 H18 N2 O5)

Compound Name

methyl 4-{5-[(4-methylphenyl)carbamoyl]-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl}benzoate

IUPAC name

methyl 4-{5-[(4-methylphenyl)carbamoyl]-13-dioxo-23-dihydro-1H-isoindol-2-yl}benzoate

SMILES

Cc(cc1)ccc1NC(c(cc1)cc(C(N2c(cc3)ccc3C(OC)=O)=O)c1C2=O)=O

InChI

InChI=1S/C24H18N2O5/c1-14-3-8-17(9-4-14)25-21(27)16-7-12-19-20(13-16)23(29)26(22(19)28)18-10-5-15(6-11-18)24(30)31-2/h3-13H,1-2H3,(H,25,27)

InChI Key

KLVXXCKIPDRPOY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01025963

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.42

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.331

Distribution Coefficient, logD

4.330

Water Solubility, LogSw

-4.34

Polar Surface Area

73.145

Acid Dissociation Constant (pKa)

10.04

Base Dissociation Constant (pKb)

-2.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

1606-0302 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1606-0302 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1606-0302?
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What is the minimum amount of 1606-0302 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1606-0302
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1606-0302
  • 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 1606-0302 available by request