8004-7748 Screening compound: 1,3-dioxo-N-(2-pyridyl)-2-{3-[(2-pyridylamino)carbonyl]phenyl}-5-isoindolinecarboxamide

8004-7748 Screening compound: 1,3-dioxo-N-(2-pyridyl)-2-{3-[(2-pyridylamino)carbonyl]phenyl}-5-isoindolinecarboxamide
8004-7748 Screening compound: 1,3-dioxo-N-(2-pyridyl)-2-{3-[(2-pyridylamino)carbonyl]phenyl}-5-isoindolinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-7748
1,3-dioxo-N-(2-pyridyl)-2-{3-[(2-pyridylamino)carbonyl]phenyl}-5-isoindolinecarboxamide

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

8004-7748

Molecular Formula

C26H17N5O4 (C26 H17 N5 O4)

Compound Name

1,3-dioxo-N-(2-pyridyl)-2-{3-[(2-pyridylamino)carbonyl]phenyl}-5-isoindolinecarboxamide

IUPAC name

13-dioxo-N-(pyridin-2-yl)-2-{3-[(pyridin-2-yl)carbamoyl]phenyl}-23-dihydro-1H-isoindole-5-carboxamide

SMILES

O=C(c(cc1)cc(C(N2c3cc(C(Nc4ncccc4)=O)ccc3)=O)c1C2=O)Nc1ncccc1

InChI

InChI=1S/C26H17N5O4/c32-23(29-21-8-1-3-12-27-21)16-6-5-7-18(14-16)31-25(34)19-11-10-17(15-20(19)26(31)35)24(33)30-22-9-2-4-13-28-22/h1-15H,(H,27,29,32)(H,28,30,33)

InChI Key

MNKABEVTTFZPAZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00632027

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.45

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.760

Distribution Coefficient, logD

3.703

Water Solubility, LogSw

-4.21

Polar Surface Area

94.292

Acid Dissociation Constant (pKa)

8.25

Base Dissociation Constant (pKb)

3.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8004-7748 in Drug Discovery

Included in Screening Libraries

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

Chelators targeting matrix metalloproteinases library (8930 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
  • Infections
  • Immune system
  • animal
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 8004-7748 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-7748?
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What is the minimum amount of 8004-7748 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-7748
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-7748
  • 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 8004-7748 available by request