J026-1994 Screening compound: methyl 3-{[(2-ethyl-6-methylphenyl)carbamoyl]methyl}-7-methyl-2,4-dioxo-1-phenyl-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-5-carboxylate

J026-1994 Screening compound: methyl 3-{[(2-ethyl-6-methylphenyl)carbamoyl]methyl}-7-methyl-2,4-dioxo-1-phenyl-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-5-carboxylate
J026-1994 Screening compound: methyl 3-{[(2-ethyl-6-methylphenyl)carbamoyl]methyl}-7-methyl-2,4-dioxo-1-phenyl-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound J026-1994
methyl 3-{[(2-ethyl-6-methylphenyl)carbamoyl]methyl}-7-methyl-2,4-dioxo-1-phenyl-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-5-carboxylate

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

J026-1994

Molecular Formula

C27H26N4O5 (C27 H26 N4 O5)

Compound Name

methyl 3-{[(2-ethyl-6-methylphenyl)carbamoyl]methyl}-7-methyl-2,4-dioxo-1-phenyl-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-5-carboxylate

IUPAC name

methyl 3-{[(2-ethyl-6-methylphenyl)carbamoyl]methyl}-7-methyl-24-dioxo-1-phenyl-1H2H3H4H-pyrido[23-d]pyrimidine-5-carboxylate

SMILES

CCc(cccc1C)c1NC(CN(C(c(c(N1c2ccccc2)nc(C)c2)c2C(OC)=O)=O)C1=O)=O

InChI

InChI=1S/C27H26N4O5/c1-5-18-11-9-10-16(2)23(18)29-21(32)15-30-25(33)22-20(26(34)36-4)14-17(3)28-24(22)31(27(30)35)19-12-7-6-8-13-19/h6-14H,5,15H2,1-4H3,(H,29,32)

InChI Key

GIQDQQPYDLOENM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09779640

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.53

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.015

Distribution Coefficient, logD

4.015

Water Solubility, LogSw

-4.20

Polar Surface Area

83.288

Acid Dissociation Constant (pKa)

13.22

Base Dissociation Constant (pKb)

2.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

References: we are preparing a list of scientific research reports with J026-1994 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J026-1994
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J026-1994
  • 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 J026-1994 available by request