D730-0131 Screening compound: 2-METHYL-5-[4-(TRIFLUOROMETHYL)PHENYL]-5,8-DIHYDROPYRIDO[2,3-D]PYRIMIDINE-4,7(3H,6H)-DIONE

D730-0131 Screening compound: 2-METHYL-5-[4-(TRIFLUOROMETHYL)PHENYL]-5,8-DIHYDROPYRIDO[2,3-D]PYRIMIDINE-4,7(3H,6H)-DIONE
D730-0131 Screening compound: 2-METHYL-5-[4-(TRIFLUOROMETHYL)PHENYL]-5,8-DIHYDROPYRIDO[2,3-D]PYRIMIDINE-4,7(3H,6H)-DIONE alternative view

Chemical Structure Depiction of ChemDiv screening compound D730-0131
2-METHYL-5-[4-(TRIFLUOROMETHYL)PHENYL]-5,8-DIHYDROPYRIDO[2,3-D]PYRIMIDINE-4,7(3H,6H)-DIONE

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

D730-0131

Molecular Formula

C15H12F3N3O2 (C15 H12 F3 N3 O2)

Compound Name

2-METHYL-5-[4-(TRIFLUOROMETHYL)PHENYL]-5,8-DIHYDROPYRIDO[2,3-D]PYRIMIDINE-4,7(3H,6H)-DIONE

IUPAC name

2-methyl-5-[4-(trifluoromethyl)phenyl]-3H4H5H6H7H8H-pyrido[23-d]pyrimidine-47-dione

SMILES

CC(N1)=NC(NC(CC2c3ccc(C(F)(F)F)cc3)=O)=C2C1=O

InChI

InChI=1S/C15H12F3N3O2/c1-7-19-13-12(14(23)20-7)10(6-11(22)21-13)8-2-4-9(5-3-8)15(16,17)18/h2-5,10H,6H2,1H3,(H2,19,20,21,22,23)/t10-/m0/s1

InChI Key

GANMHZSSAYDDPJ-JTQLQIEISA-N

MDL Number (MFCD)

MFCD07640748

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

323.27

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.370

Distribution Coefficient, logD

1.363

Water Solubility, LogSw

-2.06

Polar Surface Area

57.202

Acid Dissociation Constant (pKa)

9.15

Base Dissociation Constant (pKb)

3.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.67

D730-0131 in Drug Discovery

Included in Screening Libraries

BRD4 Targeted Library (4534 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
Targets:
  • Others

References: we are preparing a list of scientific research reports with D730-0131 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D730-0131?
Check Price and Availability of D730-0131, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D730-0131 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D730-0131
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D730-0131
  • 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 D730-0131 available by request