V009-5843 Screening compound: 1-{4-[7-(2,5-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]piperazin-1-yl}-2-methyl-1-oxopropan-2-yl acetate

V009-5843 Screening compound: 1-{4-[7-(2,5-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]piperazin-1-yl}-2-methyl-1-oxopropan-2-yl acetate
V009-5843 Screening compound: 1-{4-[7-(2,5-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]piperazin-1-yl}-2-methyl-1-oxopropan-2-yl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound V009-5843
1-{4-[7-(2,5-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]piperazin-1-yl}-2-methyl-1-oxopropan-2-yl acetate

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

V009-5843

Molecular Formula

C21H22Cl2N6O3 (C21 H22 Cl2 N6 O3)

Compound Name

1-{4-[7-(2,5-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]piperazin-1-yl}-2-methyl-1-oxopropan-2-yl acetate

IUPAC name

1-{4-[7-(25-dichlorophenyl)-[124]triazolo[15-a]pyrimidin-2-yl]piperazin-1-yl}-2-methyl-1-oxopropan-2-yl acetate

SMILES

CC(C)(C(N(CC1)CCN1c1nn2c(-c(cc(cc3)Cl)c3Cl)ccnc2n1)=O)OC(C)=O

InChI

InChI=1S/C21H22Cl2N6O3/c1-13(30)32-21(2,3)18(31)27-8-10-28(11-9-27)20-25-19-24-7-6-17(29(19)26-20)15-12-14(22)4-5-16(15)23/h4-7,12H,8-11H2,1-3H3

InChI Key

OXAYGLFLZXPQCW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19955176

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

477.35

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.117

Distribution Coefficient, logD

3.114

Water Solubility, LogSw

-3.60

Polar Surface Area

69.272

Acid Dissociation Constant (pKa)

20.67

Base Dissociation Constant (pKb)

5.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

V009-5843 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 V009-5843 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V009-5843?
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What is the minimum amount of V009-5843 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V009-5843
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V009-5843
  • 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 V009-5843 available by request