V012-9934 Screening compound: N-{[4-(difluoromethoxy)phenyl]methyl}-6-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

V012-9934 Screening compound: N-{[4-(difluoromethoxy)phenyl]methyl}-6-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
V012-9934 Screening compound: N-{[4-(difluoromethoxy)phenyl]methyl}-6-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound V012-9934
N-{[4-(difluoromethoxy)phenyl]methyl}-6-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-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

V012-9934

Molecular Formula

C21H19F2N5O3 (C21 H19 F2 N5 O3)

Compound Name

N-{[4-(difluoromethoxy)phenyl]methyl}-6-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

IUPAC name

N-{[4-(difluoromethoxy)phenyl]methyl}-6-(34-dimethoxyphenyl)-[124]triazolo[15-a]pyrimidin-7-amine

SMILES

COc(ccc(-c1c(NCc(cc2)ccc2OC(F)F)n2ncnc2nc1)c1)c1OC

InChI

InChI=1S/C21H19F2N5O3/c1-29-17-8-5-14(9-18(17)30-2)16-11-25-21-26-12-27-28(21)19(16)24-10-13-3-6-15(7-4-13)31-20(22)23/h3-9,11-12,20,24H,10H2,1-2H3

InChI Key

AXMQOSBQXOAKMA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19960889

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

427.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.636

Distribution Coefficient, logD

2.633

Water Solubility, LogSw

-2.95

Polar Surface Area

63.763

Acid Dissociation Constant (pKa)

16.73

Base Dissociation Constant (pKb)

5.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

V012-9934 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antimitotic Tubulin Library (17355 compounds)

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Agro:
  • Agro

References: we are preparing a list of scientific research reports with V012-9934 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-9934?
Check Price and Availability of V012-9934, 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 V012-9934 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-9934
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-9934
  • 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 V012-9934 available by request