T001-0841 Screening compound: N~1~-(1-acetyl-4-piperidyl)-N~1~-(1,3-benzodioxol-5-ylmethyl)acrylamide

T001-0841 Screening compound: N~1~-(1-acetyl-4-piperidyl)-N~1~-(1,3-benzodioxol-5-ylmethyl)acrylamide
T001-0841 Screening compound: N~1~-(1-acetyl-4-piperidyl)-N~1~-(1,3-benzodioxol-5-ylmethyl)acrylamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T001-0841
N~1~-(1-acetyl-4-piperidyl)-N~1~-(1,3-benzodioxol-5-ylmethyl)acrylamide

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

T001-0841

Molecular Formula

C18H22N2O4 (C18 H22 N2 O4)

Compound Name

N~1~-(1-acetyl-4-piperidyl)-N~1~-(1,3-benzodioxol-5-ylmethyl)acrylamide

IUPAC name

N-(1-acetylpiperidin-4-yl)-N-[(2H-13-benzodioxol-5-yl)methyl]prop-2-enamide

SMILES

CC(N(CC1)CCC1N(Cc(cc1)cc2c1OCO2)C(C=C)=O)=O

InChI

InChI=1S/C18H22N2O4/c1-3-18(22)20(15-6-8-19(9-7-15)13(2)21)11-14-4-5-16-17(10-14)24-12-23-16/h3-5,10,15H,1,6-9,11-12H2,2H3

InChI Key

KMAJLQXMOXTTPH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32260731

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

330.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.899

Distribution Coefficient, logD

1.899

Water Solubility, LogSw

-2.41

Polar Surface Area

49.478

Acid Dissociation Constant (pKa)

24.63

Base Dissociation Constant (pKb)

3.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.44

T001-0841 in Drug Discovery

Included in Screening Libraries

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

CORONAVIRUS Library (20774 compounds)

Covalent Fragments Smart Library (839 compounds)

Lipid Metabolism Library (9174 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with T001-0841 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T001-0841?
Check Price and Availability of T001-0841, 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 T001-0841 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T001-0841
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T001-0841
  • 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 T001-0841 available by request