2054-0308 Screening compound: phenyl 4-(5-benzamido-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)benzoate

2054-0308 Screening compound: phenyl 4-(5-benzamido-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)benzoate
2054-0308 Screening compound: phenyl 4-(5-benzamido-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2054-0308
phenyl 4-(5-benzamido-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)benzoate

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

2054-0308

Molecular Formula

C28H18N2O5 (C28 H18 N2 O5)

Compound Name

phenyl 4-(5-benzamido-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)benzoate

IUPAC name

phenyl 4-(5-benzamido-13-dioxo-23-dihydro-1H-isoindol-2-yl)benzoate

SMILES

O=C(c1ccccc1)Nc(cc1)cc(C(N2c(cc3)ccc3C(Oc3ccccc3)=O)=O)c1C2=O

InChI

InChI=1S/C28H18N2O5/c31-25(18-7-3-1-4-8-18)29-20-13-16-23-24(17-20)27(33)30(26(23)32)21-14-11-19(12-15-21)28(34)35-22-9-5-2-6-10-22/h1-17H,(H,29,31)

InChI Key

LDDMCAVAGFFXKF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01138265

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.46

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.819

Distribution Coefficient, logD

4.692

Water Solubility, LogSw

-4.88

Polar Surface Area

72.349

Acid Dissociation Constant (pKa)

7.87

Base Dissociation Constant (pKb)

-4.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

2054-0308 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 2054-0308 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2054-0308?
Check Price and Availability of 2054-0308, 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 2054-0308 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2054-0308
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2054-0308
  • 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 2054-0308 available by request