T002-2840 Screening compound: N~1~-{1-[3-(3,4,5-trimethoxyphenyl)propanoyl]-3-piperidyl}-2-butynamide

T002-2840 Screening compound: N~1~-{1-[3-(3,4,5-trimethoxyphenyl)propanoyl]-3-piperidyl}-2-butynamide
T002-2840 Screening compound: N~1~-{1-[3-(3,4,5-trimethoxyphenyl)propanoyl]-3-piperidyl}-2-butynamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T002-2840
N~1~-{1-[3-(3,4,5-trimethoxyphenyl)propanoyl]-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

T002-2840

Molecular Formula

C21H28N2O5 (C21 H28 N2 O5)

Compound Name

N~1~-{1-[3-(3,4,5-trimethoxyphenyl)propanoyl]-3-piperidyl}-2-butynamide

IUPAC name

N-{1-[3-(345-trimethoxyphenyl)propanoyl]piperidin-3-yl}but-2-ynamide

SMILES

CC#CC(NC(CCC1)CN1C(CCc(cc1OC)cc(OC)c1OC)=O)=O

InChI

InChI=1S/C21H28N2O5/c1-5-7-19(24)22-16-8-6-11-23(14-16)20(25)10-9-15-12-17(26-2)21(28-4)18(13-15)27-3/h12-13,16H,6,8-11,14H2,1-4H3,(H,22,24)/t16-/m0/s1

InChI Key

IINRHRQUJVOLAR-INIZCTEOSA-N

MDL Number (MFCD)

MFCD32261591

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.049

Distribution Coefficient, logD

2.049

Water Solubility, LogSw

-2.64

Polar Surface Area

63.275

Acid Dissociation Constant (pKa)

15.91

Base Dissociation Constant (pKb)

-2.21

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.38

T002-2840 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 T002-2840 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T002-2840?
Check Price and Availability of T002-2840, 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 T002-2840 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T002-2840
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T002-2840
  • 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 T002-2840 available by request