V013-5252 Screening compound: methyl 5-{4-[7-(4-tert-butylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]piperazin-1-yl}-5-oxopentanoate

V013-5252 Screening compound: methyl 5-{4-[7-(4-tert-butylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]piperazin-1-yl}-5-oxopentanoate
V013-5252 Screening compound: methyl 5-{4-[7-(4-tert-butylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]piperazin-1-yl}-5-oxopentanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-5252
methyl 5-{4-[7-(4-tert-butylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]piperazin-1-yl}-5-oxopentanoate

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

V013-5252

Molecular Formula

C25H32N6O3 (C25 H32 N6 O3)

Compound Name

methyl 5-{4-[7-(4-tert-butylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]piperazin-1-yl}-5-oxopentanoate

IUPAC name

methyl 5-{4-[7-(4-tert-butylphenyl)-[124]triazolo[15-a]pyrimidin-2-yl]piperazin-1-yl}-5-oxopentanoate

SMILES

CC(C)(C)c(cc1)ccc1-c1ccnc2nc(N(CC3)CCN3C(CCCC(OC)=O)=O)nn12

InChI

InChI=1S/C25H32N6O3/c1-25(2,3)19-10-8-18(9-11-19)20-12-13-26-23-27-24(28-31(20)23)30-16-14-29(15-17-30)21(32)6-5-7-22(33)34-4/h8-13H,5-7,14-17H2,1-4H3

InChI Key

MURBKOXEHMELTH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19954982

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

464.57

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.661

Distribution Coefficient, logD

3.659

Water Solubility, LogSw

-3.78

Polar Surface Area

69.372

Acid Dissociation Constant (pKa)

20.67

Base Dissociation Constant (pKb)

5.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

48.00

V013-5252 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with V013-5252 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-5252?
Check Price and Availability of V013-5252, 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 V013-5252 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-5252
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-5252
  • 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 V013-5252 available by request