V002-1215 Screening compound: ethyl 3-{7-[4-(2-cyclopentylacetyl)piperazino]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}propanoate

V002-1215 Screening compound: ethyl 3-{7-[4-(2-cyclopentylacetyl)piperazino]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}propanoate
V002-1215 Screening compound: ethyl 3-{7-[4-(2-cyclopentylacetyl)piperazino]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound V002-1215
ethyl 3-{7-[4-(2-cyclopentylacetyl)piperazino]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}propanoate

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

V002-1215

Molecular Formula

C22H32N6O3 (C22 H32 N6 O3)

Compound Name

ethyl 3-{7-[4-(2-cyclopentylacetyl)piperazino]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}propanoate

IUPAC name

ethyl 3-{7-[4-(2-cyclopentylacetyl)piperazin-1-yl]-5-methyl-[124]triazolo[15-a]pyrimidin-6-yl}propanoate

SMILES

CCOC(CCc(c(C)nc1ncnn11)c1N(CC1)CCN1C(CC1CCCC1)=O)=O

InChI

InChI=1S/C22H32N6O3/c1-3-31-20(30)9-8-18-16(2)25-22-23-15-24-28(22)21(18)27-12-10-26(11-13-27)19(29)14-17-6-4-5-7-17/h15,17H,3-14H2,1-2H3

InChI Key

FBHINIZTMQXQAR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19960545

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

428.53

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

2.618

Distribution Coefficient, logD

2.589

Water Solubility, LogSw

-2.49

Polar Surface Area

71.221

Acid Dissociation Constant (pKa)

21.07

Base Dissociation Constant (pKb)

6.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

68.20

V002-1215 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with V002-1215 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-1215?
Check Price and Availability of V002-1215, 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 V002-1215 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-1215
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-1215
  • 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 V002-1215 available by request