C429-0442 Screening compound: 4-({2-[1-(ethoxycarbonyl)piperidin-4-yl]-3-oxo-2,3-dihydro-1H-isoindol-1-yl}amino)benzoic acid

C429-0442 Screening compound: 4-({2-[1-(ethoxycarbonyl)piperidin-4-yl]-3-oxo-2,3-dihydro-1H-isoindol-1-yl}amino)benzoic acid
C429-0442 Screening compound: 4-({2-[1-(ethoxycarbonyl)piperidin-4-yl]-3-oxo-2,3-dihydro-1H-isoindol-1-yl}amino)benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C429-0442
4-({2-[1-(ethoxycarbonyl)piperidin-4-yl]-3-oxo-2,3-dihydro-1H-isoindol-1-yl}amino)benzoic 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

C429-0442

Molecular Formula

C23H25N3O5 (C23 H25 N3 O5)

Compound Name

4-({2-[1-(ethoxycarbonyl)piperidin-4-yl]-3-oxo-2,3-dihydro-1H-isoindol-1-yl}amino)benzoic acid

IUPAC name

4-({2-[1-(ethoxycarbonyl)piperidin-4-yl]-3-oxo-23-dihydro-1H-isoindol-1-yl}amino)benzoic acid

SMILES

CCOC(N(CC1)CCC1N(C(c1c2cccc1)Nc(cc1)ccc1C(O)=O)C2=O)=O

InChI

InChI=1S/C23H25N3O5/c1-2-31-23(30)25-13-11-17(12-14-25)26-20(18-5-3-4-6-19(18)21(26)27)24-16-9-7-15(8-10-16)22(28)29/h3-10,17,20,24H,2,11-14H2,1H3,(H,28,29)/t20-/m1/s1

InChI Key

IHARNLWNYKKQHO-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD14756125

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.779

Distribution Coefficient, logD

1.384

Water Solubility, LogSw

-3.77

Polar Surface Area

75.412

Acid Dissociation Constant (pKa)

5.01

Base Dissociation Constant (pKb)

0.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.80

C429-0442 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C429-0442 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C429-0442?
Check Price and Availability of C429-0442, 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 C429-0442 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C429-0442
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C429-0442
  • 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 C429-0442 available by request