V008-3521 Screening compound: ethyl 4-{[(4-methoxyphenyl)methyl]amino}-2-[4-(trifluoromethyl)phenyl]pyrimidine-5-carboxylate

V008-3521 Screening compound: ethyl 4-{[(4-methoxyphenyl)methyl]amino}-2-[4-(trifluoromethyl)phenyl]pyrimidine-5-carboxylate
V008-3521 Screening compound: ethyl 4-{[(4-methoxyphenyl)methyl]amino}-2-[4-(trifluoromethyl)phenyl]pyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-3521
ethyl 4-{[(4-methoxyphenyl)methyl]amino}-2-[4-(trifluoromethyl)phenyl]pyrimidine-5-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

V008-3521

Molecular Formula

C22H20F3N3O3 (C22 H20 F3 N3 O3)

Compound Name

ethyl 4-{[(4-methoxyphenyl)methyl]amino}-2-[4-(trifluoromethyl)phenyl]pyrimidine-5-carboxylate

IUPAC name

ethyl 4-{[(4-methoxyphenyl)methyl]amino}-2-[4-(trifluoromethyl)phenyl]pyrimidine-5-carboxylate

SMILES

CCOC(c1c(NCc(cc2)ccc2OC)nc(-c2ccc(C(F)(F)F)cc2)nc1)=O

InChI

InChI=1S/C22H20F3N3O3/c1-3-31-21(29)18-13-27-19(15-6-8-16(9-7-15)22(23,24)25)28-20(18)26-12-14-4-10-17(30-2)11-5-14/h4-11,13H,3,12H2,1-2H3,(H,26,27,28)

InChI Key

XRDDWBUMFDAIKN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19965344

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

431.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.292

Distribution Coefficient, logD

5.292

Water Solubility, LogSw

-5.19

Polar Surface Area

58.231

Acid Dissociation Constant (pKa)

14.71

Base Dissociation Constant (pKb)

3.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

V008-3521 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with V008-3521 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-3521?
Check Price and Availability of V008-3521, 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 V008-3521 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-3521
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-3521
  • 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 V008-3521 available by request