C612-0006 Screening compound: tert-butyl 4-{1-phenyl-4-[(3-pyridylamino)carbonyl]-1H-pyrazol-5-yl}tetrahydro-1(2H)-pyridinecarboxylate

C612-0006 Screening compound: tert-butyl 4-{1-phenyl-4-[(3-pyridylamino)carbonyl]-1H-pyrazol-5-yl}tetrahydro-1(2H)-pyridinecarboxylate
C612-0006 Screening compound: tert-butyl 4-{1-phenyl-4-[(3-pyridylamino)carbonyl]-1H-pyrazol-5-yl}tetrahydro-1(2H)-pyridinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C612-0006
tert-butyl 4-{1-phenyl-4-[(3-pyridylamino)carbonyl]-1H-pyrazol-5-yl}tetrahydro-1(2H)-pyridinecarboxylate

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

C612-0006

Molecular Formula

C25H29N5O3 (C25 H29 N5 O3)

Compound Name

tert-butyl 4-{1-phenyl-4-[(3-pyridylamino)carbonyl]-1H-pyrazol-5-yl}tetrahydro-1(2H)-pyridinecarboxylate

IUPAC name

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

SMILES

CC(C)(C)OC(N(CC1)CCC1c(n(-c1ccccc1)nc1)c1C(Nc1cnccc1)=O)=O

InChI

InChI=1S/C25H29N5O3/c1-25(2,3)33-24(32)29-14-11-18(12-15-29)22-21(23(31)28-19-8-7-13-26-16-19)17-27-30(22)20-9-5-4-6-10-20/h4-10,13,16-18H,11-12,14-15H2,1-3H3,(H,28,31)

InChI Key

CJPRNJDFJFHGIP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14775516

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.751

Distribution Coefficient, logD

4.751

Water Solubility, LogSw

-4.15

Polar Surface Area

67.752

Acid Dissociation Constant (pKa)

11.06

Base Dissociation Constant (pKb)

3.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

References: we are preparing a list of scientific research reports with C612-0006 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C612-0006?
Check Price and Availability of C612-0006, 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 C612-0006 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C612-0006
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C612-0006
  • 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 C612-0006 available by request