V030-9745 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

V030-9745 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
V030-9745 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound V030-9745
N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-(4-methoxyphenyl)-[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

V030-9745

Molecular Formula

C20H17N5O3 (C20 H17 N5 O3)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-6-(4-methoxyphenyl)-[124]triazolo[15-a]pyrimidin-7-amine

SMILES

COc(cc1)ccc1-c1c(NCc(cc2)cc3c2OCO3)n2ncnc2nc1

InChI

InChI=1S/C20H17N5O3/c1-26-15-5-3-14(4-6-15)16-10-22-20-23-11-24-25(20)19(16)21-9-13-2-7-17-18(8-13)28-12-27-17/h2-8,10-11,21H,9,12H2,1H3

InChI Key

DKYKHYHJBASLLP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19959768

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

375.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.883

Distribution Coefficient, logD

2.880

Water Solubility, LogSw

-3.32

Polar Surface Area

66.556

Acid Dissociation Constant (pKa)

16.93

Base Dissociation Constant (pKb)

5.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

V030-9745 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

References: we are preparing a list of scientific research reports with V030-9745 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-9745?
Check Price and Availability of V030-9745, 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 V030-9745 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-9745
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-9745
  • 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 V030-9745 available by request