T002-3053 Screening compound: N~1~-(1-{[5-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)-3-isoxazolyl]carbonyl}-3-piperidyl)-2-butynamide

T002-3053 Screening compound: N~1~-(1-{[5-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)-3-isoxazolyl]carbonyl}-3-piperidyl)-2-butynamide
T002-3053 Screening compound: N~1~-(1-{[5-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)-3-isoxazolyl]carbonyl}-3-piperidyl)-2-butynamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T002-3053
N~1~-(1-{[5-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)-3-isoxazolyl]carbonyl}-3-piperidyl)-2-butynamide

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

T002-3053

Molecular Formula

C20H25N5O3 (C20 H25 N5 O3)

Compound Name

N~1~-(1-{[5-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)-3-isoxazolyl]carbonyl}-3-piperidyl)-2-butynamide

IUPAC name

N-{1-[5-(1-ethyl-35-dimethyl-1H-pyrazol-4-yl)-12-oxazole-3-carbonyl]piperidin-3-yl}but-2-ynamide

SMILES

CCn1nc(C)c(-c2cc(C(N(CCC3)CC3NC(C#CC)=O)=O)no2)c1C

InChI

InChI=1S/C20H25N5O3/c1-5-8-18(26)21-15-9-7-10-24(12-15)20(27)16-11-17(28-23-16)19-13(3)22-25(6-2)14(19)4/h11,15H,6-7,9-10,12H2,1-4H3,(H,21,26)/t15-/m0/s1

InChI Key

SBFMUOYGBBTFHL-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD32261301

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.445

Distribution Coefficient, logD

1.445

Water Solubility, LogSw

-1.91

Polar Surface Area

76.638

Acid Dissociation Constant (pKa)

15.84

Base Dissociation Constant (pKb)

3.24

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

T002-3053 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CORONAVIRUS Library (20774 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with T002-3053 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T002-3053?
Check Price and Availability of T002-3053, 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 T002-3053 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T002-3053
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T002-3053
  • 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 T002-3053 available by request