V003-0187 Screening compound: ethyl 5-{4-[4-(2,6-difluoro-4-methoxybenzoyl)piperazin-1-yl]phenyl}-1-(pyridin-2-yl)-1H-pyrazole-3-carboxylate

V003-0187 Screening compound: ethyl 5-{4-[4-(2,6-difluoro-4-methoxybenzoyl)piperazin-1-yl]phenyl}-1-(pyridin-2-yl)-1H-pyrazole-3-carboxylate
V003-0187 Screening compound: ethyl 5-{4-[4-(2,6-difluoro-4-methoxybenzoyl)piperazin-1-yl]phenyl}-1-(pyridin-2-yl)-1H-pyrazole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-0187
ethyl 5-{4-[4-(2,6-difluoro-4-methoxybenzoyl)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

V003-0187

Molecular Formula

C29H27F2N5O4 (C29 H27 F2 N5 O4)

Compound Name

ethyl 5-{4-[4-(2,6-difluoro-4-methoxybenzoyl)piperazin-1-yl]phenyl}-1-(pyridin-2-yl)-1H-pyrazole-3-carboxylate

IUPAC name

ethyl 5-{4-[4-(26-difluoro-4-methoxybenzoyl)piperazin-1-yl]phenyl}-1-(pyridin-2-yl)-1H-pyrazole-3-carboxylate

SMILES

CCOC(c(cc1-c(cc2)ccc2N(CC2)CCN2C(c(c(F)cc(OC)c2)c2F)=O)nn1-c1ncccc1)=O

InChI

InChI=1S/C29H27F2N5O4/c1-3-40-29(38)24-18-25(36(33-24)26-6-4-5-11-32-26)19-7-9-20(10-8-19)34-12-14-35(15-13-34)28(37)27-22(30)16-21(39-2)17-23(27)31/h4-11,16-18H,3,12-15H2,1-2H3

InChI Key

YMKADBSJLVLGLD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19955699

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

547.56

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.036

Distribution Coefficient, logD

5.036

Water Solubility, LogSw

-4.81

Polar Surface Area

69.779

Acid Dissociation Constant (pKa)

28.17

Base Dissociation Constant (pKb)

2.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.10

References: we are preparing a list of scientific research reports with V003-0187 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-0187?
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What is the minimum amount of V003-0187 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-0187
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-0187
  • 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 V003-0187 available by request