J026-4491 Screening compound: 3-benzyl-N,N-diethyl-1,7-dimethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-5-carboxamide

J026-4491 Screening compound: 3-benzyl-N,N-diethyl-1,7-dimethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-5-carboxamide
J026-4491 Screening compound: 3-benzyl-N,N-diethyl-1,7-dimethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J026-4491
3-benzyl-N,N-diethyl-1,7-dimethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-5-carboxamide

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

J026-4491

Molecular Formula

C21H24N4O3 (C21 H24 N4 O3)

Compound Name

3-benzyl-N,N-diethyl-1,7-dimethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-5-carboxamide

IUPAC name

3-benzyl-NN-diethyl-17-dimethyl-24-dioxo-1H2H3H4H-pyrido[23-d]pyrimidine-5-carboxamide

SMILES

CCN(CC)C(c1cc(C)nc(N(C)C(N2Cc3ccccc3)=O)c1C2=O)=O

InChI

InChI=1S/C21H24N4O3/c1-5-24(6-2)19(26)16-12-14(3)22-18-17(16)20(27)25(21(28)23(18)4)13-15-10-8-7-9-11-15/h7-12H,5-6,13H2,1-4H3

InChI Key

YUKPHTCJFQMOAI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27219970

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.738

Distribution Coefficient, logD

2.738

Water Solubility, LogSw

-3.18

Polar Surface Area

56.941

Acid Dissociation Constant (pKa)

26.88

Base Dissociation Constant (pKb)

3.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

J026-4491 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Hsp90-Targeted Library (11355 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with J026-4491 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J026-4491?
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What is the minimum amount of J026-4491 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J026-4491
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J026-4491
  • 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 J026-4491 available by request