C614-5476 Screening compound: tert-butyl 4-[1-(4-nitrophenyl)-4-(phenylcarbamoyl)-1H-pyrazol-5-yl]piperidine-1-carboxylate

C614-5476 Screening compound: tert-butyl 4-[1-(4-nitrophenyl)-4-(phenylcarbamoyl)-1H-pyrazol-5-yl]piperidine-1-carboxylate
C614-5476 Screening compound: tert-butyl 4-[1-(4-nitrophenyl)-4-(phenylcarbamoyl)-1H-pyrazol-5-yl]piperidine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C614-5476
tert-butyl 4-[1-(4-nitrophenyl)-4-(phenylcarbamoyl)-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

C614-5476

Molecular Formula

C26H29N5O5 (C26 H29 N5 O5)

Compound Name

tert-butyl 4-[1-(4-nitrophenyl)-4-(phenylcarbamoyl)-1H-pyrazol-5-yl]piperidine-1-carboxylate

IUPAC name

tert-butyl 4-[1-(4-nitrophenyl)-4-(phenylcarbamoyl)-1H-pyrazol-5-yl]piperidine-1-carboxylate

SMILES

CC(C)(C)OC(N(CC1)CCC1c(n(-c(cc1)ccc1[N+]([O-])=O)nc1)c1C(Nc1ccccc1)=O)=O

InChI

InChI=1S/C26H29N5O5/c1-26(2,3)36-25(33)29-15-13-18(14-16-29)23-22(24(32)28-19-7-5-4-6-8-19)17-27-30(23)20-9-11-21(12-10-20)31(34)35/h4-12,17-18H,13-16H2,1-3H3,(H,28,32)

InChI Key

VWAWBQKYEWCZGA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14776571

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.55

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

5.683

Distribution Coefficient, logD

5.683

Water Solubility, LogSw

-5.35

Polar Surface Area

91.616

Acid Dissociation Constant (pKa)

11.47

Base Dissociation Constant (pKb)

1.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.60

References: we are preparing a list of scientific research reports with C614-5476 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C614-5476?
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What is the minimum amount of C614-5476 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C614-5476
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C614-5476
  • 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 C614-5476 available by request