V017-5521 Screening compound: ethyl 1-[1-(1-benzothiophene-2-carbonyl)piperidin-4-yl]-5-(4-fluorophenyl)-1H-pyrazole-3-carboxylate

V017-5521 Screening compound: ethyl 1-[1-(1-benzothiophene-2-carbonyl)piperidin-4-yl]-5-(4-fluorophenyl)-1H-pyrazole-3-carboxylate
V017-5521 Screening compound: ethyl 1-[1-(1-benzothiophene-2-carbonyl)piperidin-4-yl]-5-(4-fluorophenyl)-1H-pyrazole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V017-5521
ethyl 1-[1-(1-benzothiophene-2-carbonyl)piperidin-4-yl]-5-(4-fluorophenyl)-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

V017-5521

Molecular Formula

C26H24FN3O3S (C26 H24 FN3 O3 S)

Compound Name

ethyl 1-[1-(1-benzothiophene-2-carbonyl)piperidin-4-yl]-5-(4-fluorophenyl)-1H-pyrazole-3-carboxylate

IUPAC name

ethyl 1-[1-(1-benzothiophene-2-carbonyl)piperidin-4-yl]-5-(4-fluorophenyl)-1H-pyrazole-3-carboxylate

SMILES

CCOC(c1nn(C(CC2)CCN2C(c2cc(cccc3)c3s2)=O)c(-c(cc2)ccc2F)c1)=O

InChI

InChI=1S/C26H24FN3O3S/c1-2-33-26(32)21-16-22(17-7-9-19(27)10-8-17)30(28-21)20-11-13-29(14-12-20)25(31)24-15-18-5-3-4-6-23(18)34-24/h3-10,15-16,20H,2,11-14H2,1H3

InChI Key

SYLWGVZJQLXSJQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19959942

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

477.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.730

Distribution Coefficient, logD

5.730

Water Solubility, LogSw

-6.20

Polar Surface Area

50.851

Acid Dissociation Constant (pKa)

27.17

Base Dissociation Constant (pKb)

0.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.90

References: we are preparing a list of scientific research reports with V017-5521 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V017-5521?
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What is the minimum amount of V017-5521 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V017-5521
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V017-5521
  • 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 V017-5521 available by request