2765-0262 Screening compound: 3-(5-chloro-1,3-dioxo-2,3,3a,4,7,7a-hexahydro-1H-isoindol-2-yl)propanoic acid

2765-0262 Screening compound: 3-(5-chloro-1,3-dioxo-2,3,3a,4,7,7a-hexahydro-1H-isoindol-2-yl)propanoic acid
2765-0262 Screening compound: 3-(5-chloro-1,3-dioxo-2,3,3a,4,7,7a-hexahydro-1H-isoindol-2-yl)propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 2765-0262
3-(5-chloro-1,3-dioxo-2,3,3a,4,7,7a-hexahydro-1H-isoindol-2-yl)propanoic acid

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

2765-0262

Molecular Formula

C11H12ClNO4 (C11 H12 ClNO4)

Compound Name

3-(5-chloro-1,3-dioxo-2,3,3a,4,7,7a-hexahydro-1H-isoindol-2-yl)propanoic acid

IUPAC name

3-[(3aR7aS)-5-chloro-13-dioxo-233a477a-hexahydro-1H-isoindol-2-yl]propanoic acid

SMILES

OC(CCN(C([C@H]1[C@@H]2CC(Cl)=CC1)=O)C2=O)=O

InChI

InChI=1S/C11H12ClNO4/c12-6-1-2-7-8(5-6)11(17)13(10(7)16)4-3-9(14)15/h1,7-8H,2-5H2,(H,14,15)/t7-,8+/m0/s1

InChI Key

MZEUGDZGVVPJBH-JGVFFNPUSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

257.67

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.026

Distribution Coefficient, logD

-2.506

Water Solubility, LogSw

-1.92

Polar Surface Area

58.317

Acid Dissociation Constant (pKa)

4.87

Base Dissociation Constant (pKb)

-8.97

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

54.55

2765-0262 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 2765-0262 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2765-0262?
Check Price and Availability of 2765-0262, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 2765-0262 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2765-0262
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2765-0262
  • 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 2765-0262 available by request