4913-0083 Screening compound: 2-({[2-(benzyloxy)ethyl][(5-chloro-1,3-dioxo-2,3,3a,4,7,7a-hexahydro-1H-isoindol-2-yl)methyl]amino}methyl)-5-chloro-2,3,3a,4,7,7a-hexahydro-1H-isoindole-1,3-dione

4913-0083 Screening compound: 2-({[2-(benzyloxy)ethyl][(5-chloro-1,3-dioxo-2,3,3a,4,7,7a-hexahydro-1H-isoindol-2-yl)methyl]amino}methyl)-5-chloro-2,3,3a,4,7,7a-hexahydro-1H-isoindole-1,3-dione
4913-0083 Screening compound: 2-({[2-(benzyloxy)ethyl][(5-chloro-1,3-dioxo-2,3,3a,4,7,7a-hexahydro-1H-isoindol-2-yl)methyl]amino}methyl)-5-chloro-2,3,3a,4,7,7a-hexahydro-1H-isoindole-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4913-0083
2-({[2-(benzyloxy)ethyl][(5-chloro-1,3-dioxo-2,3,3a,4,7,7a-hexahydro-1H-isoindol-2-yl)methyl]amino}methyl)-5-chloro-2,3,3a,4,7,7a-hexahydro-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

4913-0083

Molecular Formula

C27H29Cl2N3O5 (C27 H29 Cl2 N3 O5)

Compound Name

2-({[2-(benzyloxy)ethyl][(5-chloro-1,3-dioxo-2,3,3a,4,7,7a-hexahydro-1H-isoindol-2-yl)methyl]amino}methyl)-5-chloro-2,3,3a,4,7,7a-hexahydro-1H-isoindole-1,3-dione

IUPAC name

2-({[2-(benzyloxy)ethyl][(5-chloro-13-dioxo-233a477a-hexahydro-1H-isoindol-2-yl)methyl]amino}methyl)-5-chloro-233a477a-hexahydro-1H-isoindole-13-dione

SMILES

O=C(C1C2CC(Cl)=CC1)N(CN(CCOCc1ccccc1)CN(C(C1C3CC(Cl)=CC1)=O)C3=O)C2=O

InChI

InChI=1S/C27H29Cl2N3O5/c28-18-6-8-20-22(12-18)26(35)31(24(20)33)15-30(10-11-37-14-17-4-2-1-3-5-17)16-32-25(34)21-9-7-19(29)13-23(21)27(32)36/h1-7,20-23H,8-16H2

InChI Key

QCXZTEQVOHGODQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03627890

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

546.45

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.352

Distribution Coefficient, logD

3.020

Water Solubility, LogSw

-3.51

Polar Surface Area

74.287

Acid Dissociation Constant (pKa)

18.54

Base Dissociation Constant (pKb)

7.46

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

48.10

References: we are preparing a list of scientific research reports with 4913-0083 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4913-0083?
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What is the minimum amount of 4913-0083 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4913-0083
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4913-0083
  • 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 4913-0083 available by request