5096-1315 Screening compound: methyl 5-(2,3-dichlorophenyl)-1,3,7-trimethyl-2,4-dioxo-1H,2H,3H,4H,5H,8H-pyrido[2,3-d]pyrimidine-6-carboxylate

5096-1315 Screening compound: methyl 5-(2,3-dichlorophenyl)-1,3,7-trimethyl-2,4-dioxo-1H,2H,3H,4H,5H,8H-pyrido[2,3-d]pyrimidine-6-carboxylate
5096-1315 Screening compound: methyl 5-(2,3-dichlorophenyl)-1,3,7-trimethyl-2,4-dioxo-1H,2H,3H,4H,5H,8H-pyrido[2,3-d]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5096-1315
methyl 5-(2,3-dichlorophenyl)-1,3,7-trimethyl-2,4-dioxo-1H,2H,3H,4H,5H,8H-pyrido[2,3-d]pyrimidine-6-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

5096-1315

Molecular Formula

C18H17Cl2N3O4 (C18 H17 Cl2 N3 O4)

Compound Name

methyl 5-(2,3-dichlorophenyl)-1,3,7-trimethyl-2,4-dioxo-1H,2H,3H,4H,5H,8H-pyrido[2,3-d]pyrimidine-6-carboxylate

IUPAC name

methyl 5-(23-dichlorophenyl)-137-trimethyl-24-dioxo-1H2H3H4H5H8H-pyrido[23-d]pyrimidine-6-carboxylate

SMILES

CC(NC(N(C)C(N1C)=O)=C(C2c3cccc(Cl)c3Cl)C1=O)=C2C(OC)=O

InChI

InChI=1S/C18H17Cl2N3O4/c1-8-11(17(25)27-4)12(9-6-5-7-10(19)14(9)20)13-15(21-8)22(2)18(26)23(3)16(13)24/h5-7,12,21H,1-4H3/t12-/m0/s1

InChI Key

UHHHUCLNDIDSSU-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD02730796

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.26

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.421

Distribution Coefficient, logD

1.366

Water Solubility, LogSw

-3.94

Polar Surface Area

62.966

Acid Dissociation Constant (pKa)

5.35

Base Dissociation Constant (pKb)

-7.62

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.80

5096-1315 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 5096-1315 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5096-1315?
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What is the minimum amount of 5096-1315 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5096-1315
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5096-1315
  • 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 5096-1315 available by request