C429-0639 Screening compound: tert-butyl 4-{4-[(2-ethylphenyl)carbamoyl]-1-(4-methylphenyl)-1H-pyrazol-5-yl}piperidine-1-carboxylate

C429-0639 Screening compound: tert-butyl 4-{4-[(2-ethylphenyl)carbamoyl]-1-(4-methylphenyl)-1H-pyrazol-5-yl}piperidine-1-carboxylate
C429-0639 Screening compound: tert-butyl 4-{4-[(2-ethylphenyl)carbamoyl]-1-(4-methylphenyl)-1H-pyrazol-5-yl}piperidine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C429-0639
tert-butyl 4-{4-[(2-ethylphenyl)carbamoyl]-1-(4-methylphenyl)-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

C429-0639

Molecular Formula

C29H36N4O3 (C29 H36 N4 O3)

Compound Name

tert-butyl 4-{4-[(2-ethylphenyl)carbamoyl]-1-(4-methylphenyl)-1H-pyrazol-5-yl}piperidine-1-carboxylate

IUPAC name

tert-butyl 4-{4-[(2-ethylphenyl)carbamoyl]-1-(4-methylphenyl)-1H-pyrazol-5-yl}piperidine-1-carboxylate

SMILES

CCc(cccc1)c1NC(c1c(C(CC2)CCN2C(OC(C)(C)C)=O)n(-c2ccc(C)cc2)nc1)=O

InChI

InChI=1S/C29H36N4O3/c1-6-21-9-7-8-10-25(21)31-27(34)24-19-30-33(23-13-11-20(2)12-14-23)26(24)22-15-17-32(18-16-22)28(35)36-29(3,4)5/h7-14,19,22H,6,15-18H2,1-5H3,(H,31,34)

InChI Key

NEGKTGLOASZFFU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14756244

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.63

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

7.070

Distribution Coefficient, logD

7.070

Water Solubility, LogSw

-5.59

Polar Surface Area

57.536

Acid Dissociation Constant (pKa)

11.68

Base Dissociation Constant (pKb)

1.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.40

C429-0639 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CORONAVIRUS Library (20774 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C429-0639 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C429-0639?
Check Price and Availability of C429-0639, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C429-0639 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C429-0639
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C429-0639
  • 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 C429-0639 available by request