V030-2050 Screening compound: 4-(3,4-dimethoxyphenyl)-6-(3-fluorophenoxy)pyrimidin-5-amine

V030-2050 Screening compound: 4-(3,4-dimethoxyphenyl)-6-(3-fluorophenoxy)pyrimidin-5-amine
V030-2050 Screening compound: 4-(3,4-dimethoxyphenyl)-6-(3-fluorophenoxy)pyrimidin-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound V030-2050
4-(3,4-dimethoxyphenyl)-6-(3-fluorophenoxy)pyrimidin-5-amine

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

V030-2050

Molecular Formula

C18H16FN3O3 (C18 H16 FN3 O3)

Compound Name

4-(3,4-dimethoxyphenyl)-6-(3-fluorophenoxy)pyrimidin-5-amine

IUPAC name

4-(34-dimethoxyphenyl)-6-(3-fluorophenoxy)pyrimidin-5-amine

SMILES

COc(ccc(-c(ncnc1Oc2cccc(F)c2)c1N)c1)c1OC

InChI

InChI=1S/C18H16FN3O3/c1-23-14-7-6-11(8-15(14)24-2)17-16(20)18(22-10-21-17)25-13-5-3-4-12(19)9-13/h3-10H,20H2,1-2H3

InChI Key

FILLZPJCLUQZJR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19976969

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

341.34

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.207

Distribution Coefficient, logD

3.205

Water Solubility, LogSw

-3.38

Polar Surface Area

62.700

Acid Dissociation Constant (pKa)

22.01

Base Dissociation Constant (pKb)

5.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

V030-2050 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V030-2050 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-2050?
Check Price and Availability of V030-2050, 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 V030-2050 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-2050
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-2050
  • 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 V030-2050 available by request