8006-0992 Screening compound: N-[3,5-bis(2-methylphenoxy)phenyl]-1,3-diphenyl-1H-pyrazole-4-carboxamide

8006-0992 Screening compound: N-[3,5-bis(2-methylphenoxy)phenyl]-1,3-diphenyl-1H-pyrazole-4-carboxamide
8006-0992 Screening compound: N-[3,5-bis(2-methylphenoxy)phenyl]-1,3-diphenyl-1H-pyrazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-0992
N-[3,5-bis(2-methylphenoxy)phenyl]-1,3-diphenyl-1H-pyrazole-4-carboxamide

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

8006-0992

Molecular Formula

C36H29N3O3 (C36 H29 N3 O3)

Compound Name

N-[3,5-bis(2-methylphenoxy)phenyl]-1,3-diphenyl-1H-pyrazole-4-carboxamide

IUPAC name

N-[35-bis(2-methylphenoxy)phenyl]-13-diphenyl-1H-pyrazole-4-carboxamide

SMILES

Cc(cccc1)c1Oc1cc(NC(c2cn(-c3ccccc3)nc2-c2ccccc2)=O)cc(Oc2c(C)cccc2)c1

InChI

InChI=1S/C36H29N3O3/c1-25-13-9-11-19-33(25)41-30-21-28(22-31(23-30)42-34-20-12-10-14-26(34)2)37-36(40)32-24-39(29-17-7-4-8-18-29)38-35(32)27-15-5-3-6-16-27/h3-24H,1-2H3,(H,37,40)

InChI Key

HAUZYGOYAHKXRE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00310789

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

551.64

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

7.956

Distribution Coefficient, logD

7.956

Water Solubility, LogSw

-5.72

Polar Surface Area

51.631

Acid Dissociation Constant (pKa)

13.09

Base Dissociation Constant (pKb)

-3.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

References: we are preparing a list of scientific research reports with 8006-0992 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-0992?
Check Price and Availability of 8006-0992, 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 8006-0992 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-0992
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-0992
  • 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 8006-0992 available by request