V003-0181 Screening compound: ethyl 5-{4-[4-(2-phenylcyclopropanecarbonyl)piperazin-1-yl]phenyl}-1-(pyridin-2-yl)-1H-pyrazole-3-carboxylate

V003-0181 Screening compound: ethyl 5-{4-[4-(2-phenylcyclopropanecarbonyl)piperazin-1-yl]phenyl}-1-(pyridin-2-yl)-1H-pyrazole-3-carboxylate
V003-0181 Screening compound: ethyl 5-{4-[4-(2-phenylcyclopropanecarbonyl)piperazin-1-yl]phenyl}-1-(pyridin-2-yl)-1H-pyrazole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-0181
ethyl 5-{4-[4-(2-phenylcyclopropanecarbonyl)piperazin-1-yl]phenyl}-1-(pyridin-2-yl)-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

V003-0181

Molecular Formula

C31H31N5O3 (C31 H31 N5 O3)

Compound Name

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

IUPAC name

ethyl 5-(4-{4-[(1R2R)-2-phenylcyclopropanecarbonyl]piperazin-1-yl}phenyl)-1-(pyridin-2-yl)-1H-pyrazole-3-carboxylate

SMILES

CCOC(c(cc1-c(cc2)ccc2N(CC2)CCN2C([C@H](C2)[C@@H]2c2ccccc2)=O)nn1-c1ncccc1)=O

InChI

InChI=1S/C31H31N5O3/c1-2-39-31(38)27-21-28(36(33-27)29-10-6-7-15-32-29)23-11-13-24(14-12-23)34-16-18-35(19-17-34)30(37)26-20-25(26)22-8-4-3-5-9-22/h3-15,21,25-26H,2,16-20H2,1H3/t25-,26-/m1/s1

InChI Key

LCETUHQQVNMZIA-CLJLJLNGSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

521.62

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

5.327

Distribution Coefficient, logD

5.327

Water Solubility, LogSw

-5.39

Polar Surface Area

62.487

Acid Dissociation Constant (pKa)

18.37

Base Dissociation Constant (pKb)

2.98

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

29.00

V003-0181 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 V003-0181 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-0181?
Check Price and Availability of V003-0181, 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 V003-0181 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-0181
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-0181
  • 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 V003-0181 available by request