G612-0808 Screening compound: tert-butyl 4-{4-[(3-acetylphenyl)carbamoyl]-1-(4-methylphenyl)-1H-pyrazol-5-yl}piperidine-1-carboxylate

G612-0808 Screening compound: tert-butyl 4-{4-[(3-acetylphenyl)carbamoyl]-1-(4-methylphenyl)-1H-pyrazol-5-yl}piperidine-1-carboxylate
G612-0808 Screening compound: tert-butyl 4-{4-[(3-acetylphenyl)carbamoyl]-1-(4-methylphenyl)-1H-pyrazol-5-yl}piperidine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G612-0808
tert-butyl 4-{4-[(3-acetylphenyl)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

G612-0808

Molecular Formula

C29H34N4O4 (C29 H34 N4 O4)

Compound Name

tert-butyl 4-{4-[(3-acetylphenyl)carbamoyl]-1-(4-methylphenyl)-1H-pyrazol-5-yl}piperidine-1-carboxylate

IUPAC name

tert-butyl 4-{4-[(3-acetylphenyl)carbamoyl]-1-(4-methylphenyl)-1H-pyrazol-5-yl}piperidine-1-carboxylate

SMILES

CC(C)(C)OC(N(CC1)CCC1c(n(-c1ccc(C)cc1)nc1)c1C(Nc1cc(C(C)=O)ccc1)=O)=O

InChI

InChI=1S/C29H34N4O4/c1-19-9-11-24(12-10-19)33-26(21-13-15-32(16-14-21)28(36)37-29(3,4)5)25(18-30-33)27(35)31-23-8-6-7-22(17-23)20(2)34/h6-12,17-18,21H,13-16H2,1-5H3,(H,31,35)

InChI Key

PQGUPDKQRYXYHO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15022935

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

502.61

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.113

Distribution Coefficient, logD

6.112

Water Solubility, LogSw

-5.31

Polar Surface Area

72.061

Acid Dissociation Constant (pKa)

9.75

Base Dissociation Constant (pKb)

1.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.90

G612-0808 in Drug Discovery

Included in Screening Libraries

GABA Library (7115 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with G612-0808 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G612-0808?
Check Price and Availability of G612-0808, 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 G612-0808 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G612-0808
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G612-0808
  • 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 G612-0808 available by request