1885-0224 Screening compound: 6-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)hexanoic acid

1885-0224 Screening compound: 6-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)hexanoic acid
1885-0224 Screening compound: 6-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)hexanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 1885-0224
6-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)hexanoic 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

1885-0224

Molecular Formula

C14H19NO4 (C14 H19 NO4)

Compound Name

6-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)hexanoic acid

IUPAC name

6-(13-dioxo-233a477a-hexahydro-1H-isoindol-2-yl)hexanoic acid

SMILES

OC(CCCCCN(C(C1C2CC=CC1)=O)C2=O)=O

InChI

InChI=1S/C14H19NO4/c16-12(17)8-2-1-5-9-15-13(18)10-6-3-4-7-11(10)14(15)19/h3-4,10-11H,1-2,5-9H2,(H,16,17)

InChI Key

IACNEMHLZLHRPW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00523379

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

265.31

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.191

Distribution Coefficient, logD

-1.637

Water Solubility, LogSw

-2.15

Polar Surface Area

58.317

Acid Dissociation Constant (pKa)

4.57

Base Dissociation Constant (pKb)

-6.58

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

64.29

1885-0224 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 1885-0224 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1885-0224?
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What is the minimum amount of 1885-0224 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1885-0224
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1885-0224
  • 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 1885-0224 available by request