D475-0082 Screening compound: 1-(azepan-1-yl)-2-[5-hydroxy-3-methyl-1-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-4-yl]ethan-1-one

D475-0082 Screening compound: 1-(azepan-1-yl)-2-[5-hydroxy-3-methyl-1-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-4-yl]ethan-1-one
D475-0082 Screening compound: 1-(azepan-1-yl)-2-[5-hydroxy-3-methyl-1-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-4-yl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D475-0082
1-(azepan-1-yl)-2-[5-hydroxy-3-methyl-1-(4-phenyl-1,3-thiazol-2-yl)-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

D475-0082

Molecular Formula

C21H24N4O2S (C21 H24 N4 O2 S)

Compound Name

1-(azepan-1-yl)-2-[5-hydroxy-3-methyl-1-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-4-yl]ethan-1-one

IUPAC name

1-(azepan-1-yl)-2-[5-hydroxy-3-methyl-1-(4-phenyl-13-thiazol-2-yl)-1H-pyrazol-4-yl]ethan-1-one

SMILES

Cc(c(CC(N1CCCCCC1)=O)c1O)nn1-c1nc(-c2ccccc2)cs1

InChI

InChI=1S/C21H24N4O2S/c1-15-17(13-19(26)24-11-7-2-3-8-12-24)20(27)25(23-15)21-22-18(14-28-21)16-9-5-4-6-10-16/h4-6,9-10,14,27H,2-3,7-8,11-13H2,1H3

InChI Key

UVKASKMGLPMUOU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14830896

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.964

Distribution Coefficient, logD

1.473

Water Solubility, LogSw

-3.97

Polar Surface Area

56.089

Acid Dissociation Constant (pKa)

5.41

Base Dissociation Constant (pKb)

5.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

D475-0082 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with D475-0082 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D475-0082?
Check Price and Availability of D475-0082, 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 D475-0082 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D475-0082
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D475-0082
  • 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 D475-0082 available by request