3807-1942 Screening compound: 2-({butyl[(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

3807-1942 Screening compound: 2-({butyl[(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
3807-1942 Screening compound: 2-({butyl[(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 3807-1942
2-({butyl[(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

3807-1942

Molecular Formula

C22H27Cl2N3O4 (C22 H27 Cl2 N3 O4)

Compound Name

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

SMILES

CCCCN(CN(C(C1C2CC(Cl)=CC1)=O)C2=O)CN(C(C1C2CC(Cl)=CC1)=O)C2=O

InChI

InChI=1S/C22H27Cl2N3O4/c1-2-3-8-25(11-26-19(28)15-6-4-13(23)9-17(15)21(26)30)12-27-20(29)16-7-5-14(24)10-18(16)22(27)31/h4-5,15-18H,2-3,6-12H2,1H3

InChI Key

VQEGCZZYYIYHHV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00698973

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.38

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.325

Distribution Coefficient, logD

2.205

Water Solubility, LogSw

-3.57

Polar Surface Area

66.206

Acid Dissociation Constant (pKa)

18.54

Base Dissociation Constant (pKb)

8.49

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

63.60

References: we are preparing a list of scientific research reports with 3807-1942 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3807-1942?
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What is the minimum amount of 3807-1942 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3807-1942
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3807-1942
  • 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 3807-1942 available by request