V008-2787 Screening compound: ethyl 1-(4-fluorophenyl)-5-{4-[4-(4-methoxy-4-oxobutanoyl)piperazin-1-yl]phenyl}-1H-pyrazole-3-carboxylate

V008-2787 Screening compound: ethyl 1-(4-fluorophenyl)-5-{4-[4-(4-methoxy-4-oxobutanoyl)piperazin-1-yl]phenyl}-1H-pyrazole-3-carboxylate
V008-2787 Screening compound: ethyl 1-(4-fluorophenyl)-5-{4-[4-(4-methoxy-4-oxobutanoyl)piperazin-1-yl]phenyl}-1H-pyrazole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-2787
ethyl 1-(4-fluorophenyl)-5-{4-[4-(4-methoxy-4-oxobutanoyl)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

V008-2787

Molecular Formula

C27H29FN4O5 (C27 H29 FN4 O5)

Compound Name

ethyl 1-(4-fluorophenyl)-5-{4-[4-(4-methoxy-4-oxobutanoyl)piperazin-1-yl]phenyl}-1H-pyrazole-3-carboxylate

IUPAC name

ethyl 1-(4-fluorophenyl)-5-{4-[4-(4-methoxy-4-oxobutanoyl)piperazin-1-yl]phenyl}-1H-pyrazole-3-carboxylate

SMILES

CCOC(c(cc1-c(cc2)ccc2N(CC2)CCN2C(CCC(OC)=O)=O)nn1-c(cc1)ccc1F)=O

InChI

InChI=1S/C27H29FN4O5/c1-3-37-27(35)23-18-24(32(29-23)22-10-6-20(28)7-11-22)19-4-8-21(9-5-19)30-14-16-31(17-15-30)25(33)12-13-26(34)36-2/h4-11,18H,3,12-17H2,1-2H3

InChI Key

PICVJXOMLGYBGL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19947778

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

508.55

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.586

Distribution Coefficient, logD

3.586

Water Solubility, LogSw

-3.70

Polar Surface Area

74.047

Acid Dissociation Constant (pKa)

23.05

Base Dissociation Constant (pKb)

2.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with V008-2787 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-2787?
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What is the minimum amount of V008-2787 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-2787
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-2787
  • 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 V008-2787 available by request