C429-0044 Screening compound: 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-4-methylpentanoic acid

C429-0044 Screening compound: 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-4-methylpentanoic acid
C429-0044 Screening compound: 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-4-methylpentanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C429-0044
2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-4-methylpentanoic 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

C429-0044

Molecular Formula

C14H15NO4 (C14 H15 NO4)

Compound Name

2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-4-methylpentanoic acid

IUPAC name

(2S)-2-(13-dioxo-23-dihydro-1H-isoindol-2-yl)-4-methylpentanoic acid

SMILES

CC(C)CC(C(O)=O)N(C(c1c2cccc1)=O)C2=O

InChI

InChI=1S/C14H15NO4/c1-8(2)7-11(14(18)19)15-12(16)9-5-3-4-6-10(9)13(15)17/h3-6,8,11H,7H2,1-2H3,(H,18,19)/t11-/m0/s1

InChI Key

RMOSZIHTPMEZAP-NSHDSACASA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

261.28

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.148

Distribution Coefficient, logD

-2.010

Water Solubility, LogSw

-2.64

Polar Surface Area

57.096

Acid Dissociation Constant (pKa)

3.24

Base Dissociation Constant (pKb)

-8.24

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.71

C429-0044 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

STING Agonist Library (5895 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with C429-0044 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C429-0044?
Check Price and Availability of C429-0044, 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 C429-0044 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C429-0044
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C429-0044
  • 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 C429-0044 available by request