5042-0279 Screening compound: 6-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-5H,6H,7H-pyrrolo[3,4-b]pyridine-5,7-dione

5042-0279 Screening compound: 6-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-5H,6H,7H-pyrrolo[3,4-b]pyridine-5,7-dione
5042-0279 Screening compound: 6-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-5H,6H,7H-pyrrolo[3,4-b]pyridine-5,7-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 5042-0279
6-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-5H,6H,7H-pyrrolo[3,4-b]pyridine-5,7-dione

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

5042-0279

Molecular Formula

C20H10ClN3O3 (C20 H10 ClN3 O3)

Compound Name

6-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-5H,6H,7H-pyrrolo[3,4-b]pyridine-5,7-dione

IUPAC name

6-[4-(5-chloro-13-benzoxazol-2-yl)phenyl]-5H6H7H-pyrrolo[34-b]pyridine-57-dione

SMILES

O=C(c1c(C2=O)nccc1)N2c(cc1)ccc1-c1nc(cc(cc2)Cl)c2o1

InChI

InChI=1S/C20H10ClN3O3/c21-12-5-8-16-15(10-12)23-18(27-16)11-3-6-13(7-4-11)24-19(25)14-2-1-9-22-17(14)20(24)26/h1-10H

InChI Key

UGYDRTSZVRANCG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02189464

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.77

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.878

Distribution Coefficient, logD

2.878

Water Solubility, LogSw

-3.69

Polar Surface Area

55.599

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

-1.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

5042-0279 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Akt-Targeted Library (14764 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 5042-0279 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5042-0279?
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What is the minimum amount of 5042-0279 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5042-0279
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5042-0279
  • 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 5042-0279 available by request