V012-9557 Screening compound: [5-(tert-butyl)-2-methyl-3-furyl]{4-[6-(3,4-dimethoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazino}methanone

V012-9557 Screening compound: [5-(tert-butyl)-2-methyl-3-furyl]{4-[6-(3,4-dimethoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazino}methanone
V012-9557 Screening compound: [5-(tert-butyl)-2-methyl-3-furyl]{4-[6-(3,4-dimethoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazino}methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound V012-9557
[5-(tert-butyl)-2-methyl-3-furyl]{4-[6-(3,4-dimethoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazino}methanone

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

V012-9557

Molecular Formula

C27H32N6O4 (C27 H32 N6 O4)

Compound Name

[5-(tert-butyl)-2-methyl-3-furyl]{4-[6-(3,4-dimethoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazino}methanone

IUPAC name

1-(5-tert-butyl-2-methylfuran-3-carbonyl)-4-[6-(34-dimethoxyphenyl)-[124]triazolo[15-a]pyrimidin-7-yl]piperazine

SMILES

CC(C)(C)c1cc(C(N(CC2)CCN2c(n2ncnc2nc2)c2-c(cc2)cc(OC)c2OC)=O)c(C)o1

InChI

InChI=1S/C27H32N6O4/c1-17-19(14-23(37-17)27(2,3)4)25(34)32-11-9-31(10-12-32)24-20(15-28-26-29-16-30-33(24)26)18-7-8-21(35-5)22(13-18)36-6/h7-8,13-16H,9-12H2,1-6H3

InChI Key

MDFSICWAXISRHF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19960863

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

504.59

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.623

Distribution Coefficient, logD

3.616

Water Solubility, LogSw

-3.59

Polar Surface Area

74.291

Acid Dissociation Constant (pKa)

25.04

Base Dissociation Constant (pKb)

5.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.74

V012-9557 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with V012-9557 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-9557?
Check Price and Availability of V012-9557, 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 V012-9557 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-9557
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-9557
  • 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 V012-9557 available by request