V013-6630 Screening compound: ethyl 1-{2-[3-(4-fluorophenyl)-5-(1-methyl-1H-pyrrol-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-3-piperidinecarboxylate

V013-6630 Screening compound: ethyl 1-{2-[3-(4-fluorophenyl)-5-(1-methyl-1H-pyrrol-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-3-piperidinecarboxylate
V013-6630 Screening compound: ethyl 1-{2-[3-(4-fluorophenyl)-5-(1-methyl-1H-pyrrol-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-3-piperidinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-6630
ethyl 1-{2-[3-(4-fluorophenyl)-5-(1-methyl-1H-pyrrol-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-3-piperidinecarboxylate

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

V013-6630

Molecular Formula

C24H29FN4O3 (C24 H29 FN4 O3)

Compound Name

ethyl 1-{2-[3-(4-fluorophenyl)-5-(1-methyl-1H-pyrrol-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-3-piperidinecarboxylate

IUPAC name

ethyl 1-{2-[3-(4-fluorophenyl)-5-(1-methyl-1H-pyrrol-2-yl)-45-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}piperidine-3-carboxylate

SMILES

CCOC(C1CN(CC(N(C(C2)c3cccn3C)N=C2c(cc2)ccc2F)=O)CCC1)=O

InChI

InChI=1S/C24H29FN4O3/c1-3-32-24(31)18-6-4-13-28(15-18)16-23(30)29-22(21-7-5-12-27(21)2)14-20(26-29)17-8-10-19(25)11-9-17/h5,7-12,18,22H,3-4,6,13-16H2,1-2H3

InChI Key

NSDOLSVYLRMNIH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19885795

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

440.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.518

Distribution Coefficient, logD

3.500

Water Solubility, LogSw

-3.46

Polar Surface Area

53.695

Acid Dissociation Constant (pKa)

22.31

Base Dissociation Constant (pKb)

6.03

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

45.83

V013-6630 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with V013-6630 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-6630?
Check Price and Availability of V013-6630, 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 V013-6630 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-6630
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-6630
  • 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 V013-6630 available by request