V021-0254 Screening compound: benzyl 4-(3,4-difluorophenoxy)-2-(pyrrolidin-1-yl)-5H,6H,7H,8H-pyrido[4,3-d]pyrimidine-6-carboxylate

V021-0254 Screening compound: benzyl 4-(3,4-difluorophenoxy)-2-(pyrrolidin-1-yl)-5H,6H,7H,8H-pyrido[4,3-d]pyrimidine-6-carboxylate
V021-0254 Screening compound: benzyl 4-(3,4-difluorophenoxy)-2-(pyrrolidin-1-yl)-5H,6H,7H,8H-pyrido[4,3-d]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-0254
benzyl 4-(3,4-difluorophenoxy)-2-(pyrrolidin-1-yl)-5H,6H,7H,8H-pyrido[4,3-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

V021-0254

Molecular Formula

C25H24F2N4O3 (C25 H24 F2 N4 O3)

Compound Name

benzyl 4-(3,4-difluorophenoxy)-2-(pyrrolidin-1-yl)-5H,6H,7H,8H-pyrido[4,3-d]pyrimidine-6-carboxylate

IUPAC name

benzyl 4-(34-difluorophenoxy)-2-(pyrrolidin-1-yl)-5H6H7H8H-pyrido[43-d]pyrimidine-6-carboxylate

SMILES

O=C(N(CC1)Cc2c1nc(N1CCCC1)nc2Oc(cc1)cc(F)c1F)OCc1ccccc1

InChI

InChI=1S/C25H24F2N4O3/c26-20-9-8-18(14-21(20)27)34-23-19-15-31(25(32)33-16-17-6-2-1-3-7-17)13-10-22(19)28-24(29-23)30-11-4-5-12-30/h1-3,6-9,14H,4-5,10-13,15-16H2

InChI Key

PKTTYSUPIRSEBR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19934368

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

466.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.832

Distribution Coefficient, logD

5.832

Water Solubility, LogSw

-5.92

Polar Surface Area

53.299

Acid Dissociation Constant (pKa)

19.71

Base Dissociation Constant (pKb)

2.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

V021-0254 in Drug Discovery

Included in Screening Libraries

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with V021-0254 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-0254?
Check Price and Availability of V021-0254, 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 V021-0254 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-0254
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-0254
  • 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 V021-0254 available by request