C881-0602 Screening compound: 1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-(5-methyl-4,5,6,7-tetrahydro-2H-indazol-2-yl)ethan-1-one

C881-0602 Screening compound: 1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-(5-methyl-4,5,6,7-tetrahydro-2H-indazol-2-yl)ethan-1-one
C881-0602 Screening compound: 1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-(5-methyl-4,5,6,7-tetrahydro-2H-indazol-2-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C881-0602
1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-(5-methyl-4,5,6,7-tetrahydro-2H-indazol-2-yl)ethan-1-one

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

C881-0602

Molecular Formula

C22H30N4O (C22 H30 N4 O)

Compound Name

1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-(5-methyl-4,5,6,7-tetrahydro-2H-indazol-2-yl)ethan-1-one

IUPAC name

n/a

SMILES

CC1Cc2cn(CC(N(CC3)CCN3c3c(C)ccc(C)c3)=O)nc2CC1

InChI

InChI=1S/C22H30N4O/c1-16-5-7-20-19(12-16)14-26(23-20)15-22(27)25-10-8-24(9-11-25)21-13-17(2)4-6-18(21)3/h4,6,13-14,16H,5,7-12,15H2,1-3H3/t16-/m1/s1

InChI Key

JFKATAIFYGSOKU-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD14804434

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.51

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.714

Distribution Coefficient, logD

3.714

Water Solubility, LogSw

-3.76

Polar Surface Area

35.293

Acid Dissociation Constant (pKa)

22.57

Base Dissociation Constant (pKb)

4.79

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

54.54

References: we are preparing a list of scientific research reports with C881-0602 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C881-0602?
Check Price and Availability of C881-0602, 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 C881-0602 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C881-0602
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C881-0602
  • 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 C881-0602 available by request