C614-0232 Screening compound: tert-butyl 4-[4-(ethoxycarbonyl)-1-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine-1-carboxylate

C614-0232 Screening compound: tert-butyl 4-[4-(ethoxycarbonyl)-1-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine-1-carboxylate
C614-0232 Screening compound: tert-butyl 4-[4-(ethoxycarbonyl)-1-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C614-0232
tert-butyl 4-[4-(ethoxycarbonyl)-1-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine-1-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

C614-0232

Molecular Formula

C22H28FN3O4 (C22 H28 FN3 O4)

Compound Name

tert-butyl 4-[4-(ethoxycarbonyl)-1-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine-1-carboxylate

IUPAC name

tert-butyl 4-[4-(ethoxycarbonyl)-1-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine-1-carboxylate

SMILES

CCOC(c1c(C(CC2)CCN2C(OC(C)(C)C)=O)n(-c(cc2)ccc2F)nc1)=O

InChI

InChI=1S/C22H28FN3O4/c1-5-29-20(27)18-14-24-26(17-8-6-16(23)7-9-17)19(18)15-10-12-25(13-11-15)21(28)30-22(2,3)4/h6-9,14-15H,5,10-13H2,1-4H3

InChI Key

QUEWMNDFNRGPTE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14776096

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.48

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

5.510

Distribution Coefficient, logD

5.510

Water Solubility, LogSw

-5.31

Polar Surface Area

55.897

Acid Dissociation Constant (pKa)

22.01

Base Dissociation Constant (pKb)

1.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

C614-0232 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with C614-0232 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C614-0232?
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What is the minimum amount of C614-0232 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C614-0232
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C614-0232
  • 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 C614-0232 available by request