V002-8580 Screening compound: ethyl 2-({4-[6-(3-ethoxy-3-oxopropyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazine-1-carbonyl}amino)-3-phenylpropanoate

V002-8580 Screening compound: ethyl 2-({4-[6-(3-ethoxy-3-oxopropyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazine-1-carbonyl}amino)-3-phenylpropanoate
V002-8580 Screening compound: ethyl 2-({4-[6-(3-ethoxy-3-oxopropyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazine-1-carbonyl}amino)-3-phenylpropanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound V002-8580
ethyl 2-({4-[6-(3-ethoxy-3-oxopropyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazine-1-carbonyl}amino)-3-phenylpropanoate

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

V002-8580

Molecular Formula

C27H35N7O5 (C27 H35 N7 O5)

Compound Name

ethyl 2-({4-[6-(3-ethoxy-3-oxopropyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazine-1-carbonyl}amino)-3-phenylpropanoate

IUPAC name

ethyl 2-({4-[6-(3-ethoxy-3-oxopropyl)-5-methyl-[124]triazolo[15-a]pyrimidin-7-yl]piperazine-1-carbonyl}amino)-3-phenylpropanoate

SMILES

CCOC(CCc(c(C)nc1ncnn11)c1N(CC1)CCN1C(NC(Cc1ccccc1)C(OCC)=O)=O)=O

InChI

InChI=1S/C27H35N7O5/c1-4-38-23(35)12-11-21-19(3)30-26-28-18-29-34(26)24(21)32-13-15-33(16-14-32)27(37)31-22(25(36)39-5-2)17-20-9-7-6-8-10-20/h6-10,18,22H,4-5,11-17H2,1-3H3,(H,31,37)/t22-/m0/s1

InChI Key

XZOUAKBACKFITR-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD19961233

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

537.62

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

2.998

Distribution Coefficient, logD

2.968

Water Solubility, LogSw

-3.26

Polar Surface Area

101.717

Acid Dissociation Constant (pKa)

14.54

Base Dissociation Constant (pKb)

6.24

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

48.10

V002-8580 in Drug Discovery

Included in Screening Libraries

Integrin Receptors Targeted library (1715 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with V002-8580 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-8580?
Check Price and Availability of V002-8580, 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 V002-8580 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-8580
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-8580
  • 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 V002-8580 available by request