D458-0872 Screening compound: 1-(azepan-1-yl)-2-{1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1H-pyrazol-4-yl}ethan-1-one

D458-0872 Screening compound: 1-(azepan-1-yl)-2-{1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1H-pyrazol-4-yl}ethan-1-one
D458-0872 Screening compound: 1-(azepan-1-yl)-2-{1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1H-pyrazol-4-yl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D458-0872
1-(azepan-1-yl)-2-{1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1H-pyrazol-4-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

D458-0872

Molecular Formula

C22H25ClN4OS (C22 H25 ClN4 OS)

Compound Name

1-(azepan-1-yl)-2-{1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1H-pyrazol-4-yl}ethan-1-one

IUPAC name

1-(azepan-1-yl)-2-{1-[4-(4-chlorophenyl)-13-thiazol-2-yl]-35-dimethyl-1H-pyrazol-4-yl}ethan-1-one

SMILES

Cc1c(CC(N2CCCCCC2)=O)c(C)nn1-c1nc(-c(cc2)ccc2Cl)cs1

InChI

InChI=1S/C22H25ClN4OS/c1-15-19(13-21(28)26-11-5-3-4-6-12-26)16(2)27(25-15)22-24-20(14-29-22)17-7-9-18(23)10-8-17/h7-10,14H,3-6,11-13H2,1-2H3

InChI Key

CBPHAORCVBOIGM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27587942

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.99

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.412

Distribution Coefficient, logD

5.411

Water Solubility, LogSw

-5.91

Polar Surface Area

40.657

Acid Dissociation Constant (pKa)

13.16

Base Dissociation Constant (pKb)

4.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

D458-0872 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

GPCR Targeted Library (31838 compounds)

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D458-0872 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D458-0872?
Check Price and Availability of D458-0872, 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 D458-0872 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D458-0872
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D458-0872
  • 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 D458-0872 available by request