C561-3213 Screening compound: tert-butyl 4-[1-(4-fluorophenyl)-4-({[2-(1H-indol-3-yl)ethyl]amino}carbonyl)-1H-pyrazol-5-yl]tetrahydro-1(2H)-pyridinecarboxylate

C561-3213 Screening compound: tert-butyl 4-[1-(4-fluorophenyl)-4-({[2-(1H-indol-3-yl)ethyl]amino}carbonyl)-1H-pyrazol-5-yl]tetrahydro-1(2H)-pyridinecarboxylate
C561-3213 Screening compound: tert-butyl 4-[1-(4-fluorophenyl)-4-({[2-(1H-indol-3-yl)ethyl]amino}carbonyl)-1H-pyrazol-5-yl]tetrahydro-1(2H)-pyridinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C561-3213
tert-butyl 4-[1-(4-fluorophenyl)-4-({[2-(1H-indol-3-yl)ethyl]amino}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

C561-3213

Molecular Formula

C30H34FN5O3 (C30 H34 FN5 O3)

Compound Name

tert-butyl 4-[1-(4-fluorophenyl)-4-({[2-(1H-indol-3-yl)ethyl]amino}carbonyl)-1H-pyrazol-5-yl]tetrahydro-1(2H)-pyridinecarboxylate

IUPAC name

tert-butyl 4-[1-(4-fluorophenyl)-4-{[2-(1H-indol-3-yl)ethyl]carbamoyl}-1H-pyrazol-5-yl]piperidine-1-carboxylate

SMILES

CC(C)(C)OC(N(CC1)CCC1c(n(-c(cc1)ccc1F)nc1)c1C(NCCc1c[nH]c2c1cccc2)=O)=O

InChI

InChI=1S/C30H34FN5O3/c1-30(2,3)39-29(38)35-16-13-20(14-17-35)27-25(19-34-36(27)23-10-8-22(31)9-11-23)28(37)32-15-12-21-18-33-26-7-5-4-6-24(21)26/h4-11,18-20,33H,12-17H2,1-3H3,(H,32,37)

InChI Key

QXXPMUFSRMUFKL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14771967

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

531.63

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.227

Distribution Coefficient, logD

6.227

Water Solubility, LogSw

-5.60

Polar Surface Area

69.269

Acid Dissociation Constant (pKa)

13.27

Base Dissociation Constant (pKb)

1.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.67

References: we are preparing a list of scientific research reports with C561-3213 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C561-3213?
Check Price and Availability of C561-3213, 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 C561-3213 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C561-3213
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C561-3213
  • 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 C561-3213 available by request