V013-4882 Screening compound: ethyl 5-{4-[4-(5-ethoxy-5-oxopentanoyl)piperazin-1-yl]phenyl}-1-(pyridin-2-yl)-1H-pyrazole-3-carboxylate

V013-4882 Screening compound: ethyl 5-{4-[4-(5-ethoxy-5-oxopentanoyl)piperazin-1-yl]phenyl}-1-(pyridin-2-yl)-1H-pyrazole-3-carboxylate
V013-4882 Screening compound: ethyl 5-{4-[4-(5-ethoxy-5-oxopentanoyl)piperazin-1-yl]phenyl}-1-(pyridin-2-yl)-1H-pyrazole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-4882
ethyl 5-{4-[4-(5-ethoxy-5-oxopentanoyl)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

V013-4882

Molecular Formula

C28H33N5O5 (C28 H33 N5 O5)

Compound Name

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

IUPAC name

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

SMILES

CCOC(CCCC(N(CC1)CCN1c(cc1)ccc1-c1cc(C(OCC)=O)nn1-c1ncccc1)=O)=O

InChI

InChI=1S/C28H33N5O5/c1-3-37-27(35)10-7-9-26(34)32-18-16-31(17-19-32)22-13-11-21(12-14-22)24-20-23(28(36)38-4-2)30-33(24)25-8-5-6-15-29-25/h5-6,8,11-15,20H,3-4,7,9-10,16-19H2,1-2H3

InChI Key

XLIQPCNPHRFRJM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19955578

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

519.6

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.667

Distribution Coefficient, logD

3.667

Water Solubility, LogSw

-3.80

Polar Surface Area

82.138

Acid Dissociation Constant (pKa)

22.88

Base Dissociation Constant (pKb)

2.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.30

V013-4882 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 V013-4882 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-4882?
Check Price and Availability of V013-4882, 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 V013-4882 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-4882
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-4882
  • 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 V013-4882 available by request