F944-0562 Screening compound: N-{1-[4-(4-ethylpiperazine-1-carbonyl)phenyl]-3-methyl-4-(4-methylphenyl)-1H-pyrazol-5-yl}acetamide

F944-0562 Screening compound: N-{1-[4-(4-ethylpiperazine-1-carbonyl)phenyl]-3-methyl-4-(4-methylphenyl)-1H-pyrazol-5-yl}acetamide
F944-0562 Screening compound: N-{1-[4-(4-ethylpiperazine-1-carbonyl)phenyl]-3-methyl-4-(4-methylphenyl)-1H-pyrazol-5-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F944-0562
N-{1-[4-(4-ethylpiperazine-1-carbonyl)phenyl]-3-methyl-4-(4-methylphenyl)-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

F944-0562

Molecular Formula

C26H31N5O2 (C26 H31 N5 O2)

Compound Name

N-{1-[4-(4-ethylpiperazine-1-carbonyl)phenyl]-3-methyl-4-(4-methylphenyl)-1H-pyrazol-5-yl}acetamide

IUPAC name

N-{1-[4-(4-ethylpiperazine-1-carbonyl)phenyl]-3-methyl-4-(4-methylphenyl)-1H-pyrazol-5-yl}acetamide

SMILES

CCN(CC1)CCN1C(c(cc1)ccc1-n1nc(C)c(-c2ccc(C)cc2)c1NC(C)=O)=O

InChI

InChI=1S/C26H31N5O2/c1-5-29-14-16-30(17-15-29)26(33)22-10-12-23(13-11-22)31-25(27-20(4)32)24(19(3)28-31)21-8-6-18(2)7-9-21/h6-13H,5,14-17H2,1-4H3,(H,27,32)

InChI Key

XHQIRJHNDUHQDN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14973374

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.504

Distribution Coefficient, logD

2.328

Water Solubility, LogSw

-2.74

Polar Surface Area

57.504

Acid Dissociation Constant (pKa)

11.87

Base Dissociation Constant (pKb)

7.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.60

F944-0562 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with F944-0562 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F944-0562?
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What is the minimum amount of F944-0562 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F944-0562
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F944-0562
  • 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 F944-0562 available by request