C276-1652 Screening compound: 1,3-dimethyl-5-(3-phenoxyphenyl)-1H,2H,3H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidine-2,4,7-trione

C276-1652 Screening compound: 1,3-dimethyl-5-(3-phenoxyphenyl)-1H,2H,3H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidine-2,4,7-trione
C276-1652 Screening compound: 1,3-dimethyl-5-(3-phenoxyphenyl)-1H,2H,3H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidine-2,4,7-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound C276-1652
1,3-dimethyl-5-(3-phenoxyphenyl)-1H,2H,3H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidine-2,4,7-trione

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

C276-1652

Molecular Formula

C21H19N3O4 (C21 H19 N3 O4)

Compound Name

1,3-dimethyl-5-(3-phenoxyphenyl)-1H,2H,3H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidine-2,4,7-trione

IUPAC name

13-dimethyl-5-(3-phenoxyphenyl)-1H2H3H4H5H6H7H8H-pyrido[23-d]pyrimidine-247-trione

SMILES

CN(C(C(C(CC(N1)=O)c2cc(Oc3ccccc3)ccc2)=C1N1C)=O)C1=O

InChI

InChI=1S/C21H19N3O4/c1-23-19-18(20(26)24(2)21(23)27)16(12-17(25)22-19)13-7-6-10-15(11-13)28-14-8-4-3-5-9-14/h3-11,16H,12H2,1-2H3,(H,22,25)/t16-/m1/s1

InChI Key

RZRDSJNMLMOPHV-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD11853839

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.4

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

2.764

Distribution Coefficient, logD

2.755

Water Solubility, LogSw

-3.36

Polar Surface Area

62.625

Acid Dissociation Constant (pKa)

9.10

Base Dissociation Constant (pKb)

-5.39

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.00

C276-1652 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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 C276-1652 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C276-1652?
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What is the minimum amount of C276-1652 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C276-1652
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C276-1652
  • 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 C276-1652 available by request