1682-7192 Screening compound: methyl 2-chloro-4-({[6-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)hexanamido]methanethioyl}amino)-5-methoxybenzoate

1682-7192 Screening compound: methyl 2-chloro-4-({[6-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)hexanamido]methanethioyl}amino)-5-methoxybenzoate
1682-7192 Screening compound: methyl 2-chloro-4-({[6-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)hexanamido]methanethioyl}amino)-5-methoxybenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1682-7192
methyl 2-chloro-4-({[6-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)hexanamido]methanethioyl}amino)-5-methoxybenzoate

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

1682-7192

Molecular Formula

C24H24ClN3O6S (C24 H24 ClN3 O6 S)

Compound Name

methyl 2-chloro-4-({[6-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)hexanamido]methanethioyl}amino)-5-methoxybenzoate

IUPAC name

methyl 2-chloro-4-({[6-(13-dioxo-23-dihydro-1H-isoindol-2-yl)hexanamido]methanethioyl}amino)-5-methoxybenzoate

SMILES

COC(c(cc(c(NC(NC(CCCCCN(C(c1c2cccc1)=O)C2=O)=O)=S)c1)OC)c1Cl)=O

InChI

InChI=1S/C24H24ClN3O6S/c1-33-19-12-16(23(32)34-2)17(25)13-18(19)26-24(35)27-20(29)10-4-3-7-11-28-21(30)14-8-5-6-9-15(14)22(28)31/h5-6,8-9,12-13H,3-4,7,10-11H2,1-2H3,(H2,26,27,29,35)

InChI Key

DOWGRTBIZWIGFM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00704822

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

517.99

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.900

Distribution Coefficient, logD

2.942

Water Solubility, LogSw

-4.47

Polar Surface Area

90.636

Acid Dissociation Constant (pKa)

6.49

Base Dissociation Constant (pKb)

-4.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

References: we are preparing a list of scientific research reports with 1682-7192 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1682-7192?
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What is the minimum amount of 1682-7192 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1682-7192
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1682-7192
  • 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 1682-7192 available by request