3270-0078 Screening compound: N-[3-(4-tert-butylphenyl)-1-[(4-chlorophenyl)methyl]-1H-pyrazol-5-yl]acetamide

3270-0078 Screening compound: N-[3-(4-tert-butylphenyl)-1-[(4-chlorophenyl)methyl]-1H-pyrazol-5-yl]acetamide
3270-0078 Screening compound: N-[3-(4-tert-butylphenyl)-1-[(4-chlorophenyl)methyl]-1H-pyrazol-5-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3270-0078
N-[3-(4-tert-butylphenyl)-1-[(4-chlorophenyl)methyl]-1H-pyrazol-5-yl]acetamide

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

3270-0078

Molecular Formula

C22H24ClN3O (C22 H24 ClN3 O)

Compound Name

N-[3-(4-tert-butylphenyl)-1-[(4-chlorophenyl)methyl]-1H-pyrazol-5-yl]acetamide

IUPAC name

N-[3-(4-tert-butylphenyl)-1-[(4-chlorophenyl)methyl]-1H-pyrazol-5-yl]acetamide

SMILES

CC(C)(C)c(cc1)ccc1-c1nn(Cc(cc2)ccc2Cl)c(NC(C)=O)c1

InChI

InChI=1S/C22H24ClN3O/c1-15(27)24-21-13-20(17-7-9-18(10-8-17)22(2,3)4)25-26(21)14-16-5-11-19(23)12-6-16/h5-13H,14H2,1-4H3,(H,24,27)

InChI Key

NWMYLMGDXPPXDV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01189709

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.9

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.811

Distribution Coefficient, logD

5.811

Water Solubility, LogSw

-6.05

Polar Surface Area

37.528

Acid Dissociation Constant (pKa)

13.94

Base Dissociation Constant (pKb)

-1.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

3270-0078 in Drug Discovery

Included in Screening Libraries

BRD4 Targeted Library (4534 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Others
  • Phosphatases

References: we are preparing a list of scientific research reports with 3270-0078 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3270-0078?
Check Price and Availability of 3270-0078, 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 3270-0078 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3270-0078
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3270-0078
  • 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 3270-0078 available by request