8020-2465 Screening compound: 4-ethoxy-5-methyl-4-(trifluoromethyl)-1H,4H-pyrido[4,3-d]pyrimidine

8020-2465 Screening compound: 4-ethoxy-5-methyl-4-(trifluoromethyl)-1H,4H-pyrido[4,3-d]pyrimidine
8020-2465 Screening compound: 4-ethoxy-5-methyl-4-(trifluoromethyl)-1H,4H-pyrido[4,3-d]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-2465
4-ethoxy-5-methyl-4-(trifluoromethyl)-1H,4H-pyrido[4,3-d]pyrimidine

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

8020-2465

Molecular Formula

C11H12F3N3O (C11 H12 F3 N3 O)

Compound Name

4-ethoxy-5-methyl-4-(trifluoromethyl)-1H,4H-pyrido[4,3-d]pyrimidine

IUPAC name

4-ethoxy-5-methyl-4-(trifluoromethyl)-1H4H-pyrido[43-d]pyrimidine

SMILES

CCOC1(C(F)(F)F)N=CNc2c1c(C)ncc2

InChI

InChI=1S/C11H12F3N3O/c1-3-18-10(11(12,13)14)9-7(2)15-5-4-8(9)16-6-17-10/h4-6H,3H2,1-2H3,(H,16,17)/t10-/m1/s1

InChI Key

PQQJFVZBEQJOPI-SNVBAGLBSA-N

MDL Number (MFCD)

MFCD18075376

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

259.23

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.089

Distribution Coefficient, logD

1.115

Water Solubility, LogSw

-2.44

Polar Surface Area

39.021

Acid Dissociation Constant (pKa)

12.85

Base Dissociation Constant (pKb)

8.32

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.50

8020-2465 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

Soluble Diversity Library (15920 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8020-2465 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-2465?
Check Price and Availability of 8020-2465, 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 8020-2465 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-2465
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-2465
  • 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 8020-2465 available by request