C276-1675 Screening compound: 5-(4-hydroxy-3-methoxy-5-nitrophenyl)-1,3-dimethyl-1H,2H,3H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidine-2,4,7-trione

C276-1675 Screening compound: 5-(4-hydroxy-3-methoxy-5-nitrophenyl)-1,3-dimethyl-1H,2H,3H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidine-2,4,7-trione
C276-1675 Screening compound: 5-(4-hydroxy-3-methoxy-5-nitrophenyl)-1,3-dimethyl-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 C276-1675
5-(4-hydroxy-3-methoxy-5-nitrophenyl)-1,3-dimethyl-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

C276-1675

Molecular Formula

C16H16N4O7 (C16 H16 N4 O7)

Compound Name

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

IUPAC name

5-(4-hydroxy-3-methoxy-5-nitrophenyl)-13-dimethyl-1H2H3H4H5H6H7H8H-pyrido[23-d]pyrimidine-247-trione

SMILES

CN(C(C(C(CC(N1)=O)c(cc2OC)cc([N+]([O-])=O)c2O)=C1N1C)=O)C1=O

InChI

InChI=1S/C16H16N4O7/c1-18-14-12(15(23)19(2)16(18)24)8(6-11(21)17-14)7-4-9(20(25)26)13(22)10(5-7)27-3/h4-5,8,22H,6H2,1-3H3,(H,17,21)/t8-/m0/s1

InChI Key

JRLJQUOEOXGODF-QMMMGPOBSA-N

MDL Number (MFCD)

MFCD11696133

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.33

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

0.642

Distribution Coefficient, logD

0.181

Water Solubility, LogSw

-2.06

Polar Surface Area

112.068

Acid Dissociation Constant (pKa)

7.12

Base Dissociation Constant (pKb)

-5.39

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.30

C276-1675 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 C276-1675 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C276-1675?
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What is the minimum amount of C276-1675 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C276-1675
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C276-1675
  • 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 C276-1675 available by request