D351-0580 Screening compound: 1-(azepan-1-yl)-2-[2-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)-1,3-thiazol-4-yl]ethan-1-one

D351-0580 Screening compound: 1-(azepan-1-yl)-2-[2-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)-1,3-thiazol-4-yl]ethan-1-one
D351-0580 Screening compound: 1-(azepan-1-yl)-2-[2-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)-1,3-thiazol-4-yl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D351-0580
1-(azepan-1-yl)-2-[2-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)-1,3-thiazol-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

D351-0580

Molecular Formula

C16H21ClN4OS (C16 H21 ClN4 OS)

Compound Name

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

IUPAC name

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

SMILES

Cc(n(-c1nc(CC(N2CCCCCC2)=O)cs1)nc1C)c1Cl

InChI

InChI=1S/C16H21ClN4OS/c1-11-15(17)12(2)21(19-11)16-18-13(10-23-16)9-14(22)20-7-5-3-4-6-8-20/h10H,3-9H2,1-2H3

InChI Key

QVOOUZMUZXCURG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14822128

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.89

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.487

Distribution Coefficient, logD

3.487

Water Solubility, LogSw

-4.15

Polar Surface Area

41.424

Acid Dissociation Constant (pKa)

20.44

Base Dissociation Constant (pKb)

2.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

56.30

D351-0580 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with D351-0580 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D351-0580?
Check Price and Availability of D351-0580, 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 D351-0580 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D351-0580
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D351-0580
  • 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 D351-0580 available by request