V031-1181 Screening compound: N-cyclohexylmethyl-N-[6-(3,4-dimethoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amine

V031-1181 Screening compound: N-cyclohexylmethyl-N-[6-(3,4-dimethoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amine
V031-1181 Screening compound: N-cyclohexylmethyl-N-[6-(3,4-dimethoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amine alternative view

Chemical Structure Depiction of ChemDiv screening compound V031-1181
N-cyclohexylmethyl-N-[6-(3,4-dimethoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]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

V031-1181

Molecular Formula

C20H25N5O2 (C20 H25 N5 O2)

Compound Name

N-cyclohexylmethyl-N-[6-(3,4-dimethoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amine

IUPAC name

N-(cyclohexylmethyl)-6-(34-dimethoxyphenyl)-[124]triazolo[15-a]pyrimidin-7-amine

SMILES

COc(ccc(-c1c(NCC2CCCCC2)n2ncnc2nc1)c1)c1OC

InChI

InChI=1S/C20H25N5O2/c1-26-17-9-8-15(10-18(17)27-2)16-12-22-20-23-13-24-25(20)19(16)21-11-14-6-4-3-5-7-14/h8-10,12-14,21H,3-7,11H2,1-2H3

InChI Key

KYILPNLWBJKFTJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19959759

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

367.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.540

Distribution Coefficient, logD

3.537

Water Solubility, LogSw

-3.69

Polar Surface Area

57.350

Acid Dissociation Constant (pKa)

17.31

Base Dissociation Constant (pKb)

5.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.00

V031-1181 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)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with V031-1181 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V031-1181?
Check Price and Availability of V031-1181, 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 V031-1181 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V031-1181
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V031-1181
  • 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 V031-1181 available by request