J026-3257 Screening compound: 3-[(2,1,3-benzoxadiazol-5-yl)methyl]-7-methyl-1-phenyl-5-(pyrrolidine-1-carbonyl)-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-2,4-dione

J026-3257 Screening compound: 3-[(2,1,3-benzoxadiazol-5-yl)methyl]-7-methyl-1-phenyl-5-(pyrrolidine-1-carbonyl)-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-2,4-dione
J026-3257 Screening compound: 3-[(2,1,3-benzoxadiazol-5-yl)methyl]-7-methyl-1-phenyl-5-(pyrrolidine-1-carbonyl)-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound J026-3257
3-[(2,1,3-benzoxadiazol-5-yl)methyl]-7-methyl-1-phenyl-5-(pyrrolidine-1-carbonyl)-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-2,4-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

J026-3257

Molecular Formula

C26H22N6O4 (C26 H22 N6 O4)

Compound Name

3-[(2,1,3-benzoxadiazol-5-yl)methyl]-7-methyl-1-phenyl-5-(pyrrolidine-1-carbonyl)-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-2,4-dione

IUPAC name

3-[(213-benzoxadiazol-5-yl)methyl]-7-methyl-1-phenyl-5-(pyrrolidine-1-carbonyl)-1H2H3H4H-pyrido[23-d]pyrimidine-24-dione

SMILES

Cc(nc1N(c2ccccc2)C(N2Cc3cc4nonc4cc3)=O)cc(C(N3CCCC3)=O)c1C2=O

InChI

InChI=1S/C26H22N6O4/c1-16-13-19(24(33)30-11-5-6-12-30)22-23(27-16)32(18-7-3-2-4-8-18)26(35)31(25(22)34)15-17-9-10-20-21(14-17)29-36-28-20/h2-4,7-10,13-14H,5-6,11-12,15H2,1H3

InChI Key

ZGZQAESVBIZULC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09780317

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.5

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.833

Distribution Coefficient, logD

3.833

Water Solubility, LogSw

-4.02

Polar Surface Area

92.694

Acid Dissociation Constant (pKa)

24.40

Base Dissociation Constant (pKb)

3.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

J026-3257 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with J026-3257 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J026-3257?
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What is the minimum amount of J026-3257 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J026-3257
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J026-3257
  • 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 J026-3257 available by request