V008-0626 Screening compound: ethyl 3-[7-({[3,5-bis(trifluoromethyl)phenyl]methyl}amino)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanoate

V008-0626 Screening compound: ethyl 3-[7-({[3,5-bis(trifluoromethyl)phenyl]methyl}amino)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanoate
V008-0626 Screening compound: ethyl 3-[7-({[3,5-bis(trifluoromethyl)phenyl]methyl}amino)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-0626
ethyl 3-[7-({[3,5-bis(trifluoromethyl)phenyl]methyl}amino)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanoate

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

V008-0626

Molecular Formula

C20H19F6N5O2 (C20 H19 F6 N5 O2)

Compound Name

ethyl 3-[7-({[3,5-bis(trifluoromethyl)phenyl]methyl}amino)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanoate

IUPAC name

ethyl 3-[7-({[35-bis(trifluoromethyl)phenyl]methyl}amino)-5-methyl-[124]triazolo[15-a]pyrimidin-6-yl]propanoate

SMILES

CCOC(CCc1c(NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)n2ncnc2nc1C)=O

InChI

InChI=1S/C20H19F6N5O2/c1-3-33-16(32)5-4-15-11(2)30-18-28-10-29-31(18)17(15)27-9-12-6-13(19(21,22)23)8-14(7-12)20(24,25)26/h6-8,10,27H,3-5,9H2,1-2H3

InChI Key

GDFCGZKFAXTCHE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19956852

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

475.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.024

Distribution Coefficient, logD

4.014

Water Solubility, LogSw

-4.18

Polar Surface Area

62.382

Acid Dissociation Constant (pKa)

15.14

Base Dissociation Constant (pKb)

5.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

References: we are preparing a list of scientific research reports with V008-0626 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-0626?
Check Price and Availability of V008-0626, 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 V008-0626 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-0626
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-0626
  • 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 V008-0626 available by request