C444-0358 Screening compound: 1-{5-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2,4-dimethyl-1H-pyrrol-3-yl}ethan-1-one

C444-0358 Screening compound: 1-{5-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2,4-dimethyl-1H-pyrrol-3-yl}ethan-1-one
C444-0358 Screening compound: 1-{5-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2,4-dimethyl-1H-pyrrol-3-yl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C444-0358
1-{5-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2,4-dimethyl-1H-pyrrol-3-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

C444-0358

Molecular Formula

C19H22ClN3O2 (C19 H22 ClN3 O2)

Compound Name

1-{5-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2,4-dimethyl-1H-pyrrol-3-yl}ethan-1-one

IUPAC name

1-{5-[4-(3-chlorophenyl)piperazine-1-carbonyl]-24-dimethyl-1H-pyrrol-3-yl}ethan-1-one

SMILES

CC(c1c(C)[nH]c(C(N(CC2)CCN2c2cccc(Cl)c2)=O)c1C)=O

InChI

InChI=1S/C19H22ClN3O2/c1-12-17(14(3)24)13(2)21-18(12)19(25)23-9-7-22(8-10-23)16-6-4-5-15(20)11-16/h4-6,11,21H,7-10H2,1-3H3

InChI Key

PAIYOLCVIXPKHR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08497668

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.86

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.966

Distribution Coefficient, logD

2.966

Water Solubility, LogSw

-3.82

Polar Surface Area

44.955

Acid Dissociation Constant (pKa)

13.06

Base Dissociation Constant (pKb)

1.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

C444-0358 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C444-0358 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C444-0358?
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What is the minimum amount of C444-0358 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C444-0358
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C444-0358
  • 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 C444-0358 available by request