V008-7521 Screening compound: ethyl 1-(pyridin-2-yl)-5-(4-{4-[2-(thiophen-2-yl)acetyl]piperazin-1-yl}phenyl)-1H-pyrazole-3-carboxylate

V008-7521 Screening compound: ethyl 1-(pyridin-2-yl)-5-(4-{4-[2-(thiophen-2-yl)acetyl]piperazin-1-yl}phenyl)-1H-pyrazole-3-carboxylate
V008-7521 Screening compound: ethyl 1-(pyridin-2-yl)-5-(4-{4-[2-(thiophen-2-yl)acetyl]piperazin-1-yl}phenyl)-1H-pyrazole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-7521
ethyl 1-(pyridin-2-yl)-5-(4-{4-[2-(thiophen-2-yl)acetyl]piperazin-1-yl}phenyl)-1H-pyrazole-3-carboxylate

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

V008-7521

Molecular Formula

C27H27N5O3S (C27 H27 N5 O3 S)

Compound Name

ethyl 1-(pyridin-2-yl)-5-(4-{4-[2-(thiophen-2-yl)acetyl]piperazin-1-yl}phenyl)-1H-pyrazole-3-carboxylate

IUPAC name

ethyl 1-(pyridin-2-yl)-5-(4-{4-[2-(thiophen-2-yl)acetyl]piperazin-1-yl}phenyl)-1H-pyrazole-3-carboxylate

SMILES

CCOC(c(cc1-c(cc2)ccc2N(CC2)CCN2C(Cc2cccs2)=O)nn1-c1ncccc1)=O

InChI

InChI=1S/C27H27N5O3S/c1-2-35-27(34)23-19-24(32(29-23)25-7-3-4-12-28-25)20-8-10-21(11-9-20)30-13-15-31(16-14-30)26(33)18-22-6-5-17-36-22/h3-12,17,19H,2,13-16,18H2,1H3

InChI Key

BJUXJIOJFYYIND-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19947817

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

501.61

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.278

Distribution Coefficient, logD

4.278

Water Solubility, LogSw

-4.28

Polar Surface Area

62.726

Acid Dissociation Constant (pKa)

22.63

Base Dissociation Constant (pKb)

2.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

V008-7521 in Drug Discovery

Included in Screening Libraries

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

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with V008-7521 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-7521?
Check Price and Availability of V008-7521, 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 V008-7521 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-7521
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-7521
  • 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 V008-7521 available by request