4606-2438 Screening compound: methyl 2-[(2E)-3-(2H-1,3-benzodioxol-5-yl)prop-2-enamido]-4-methylpentanoate

4606-2438 Screening compound: methyl 2-[(2E)-3-(2H-1,3-benzodioxol-5-yl)prop-2-enamido]-4-methylpentanoate
4606-2438 Screening compound: methyl 2-[(2E)-3-(2H-1,3-benzodioxol-5-yl)prop-2-enamido]-4-methylpentanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4606-2438
methyl 2-[(2E)-3-(2H-1,3-benzodioxol-5-yl)prop-2-enamido]-4-methylpentanoate

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

4606-2438

Molecular Formula

C17H21NO5 (C17 H21 NO5)

Compound Name

methyl 2-[(2E)-3-(2H-1,3-benzodioxol-5-yl)prop-2-enamido]-4-methylpentanoate

IUPAC name

methyl 2-[(2E)-3-(2H-13-benzodioxol-5-yl)prop-2-enamido]-4-methylpentanoate

SMILES

CC(C)CC(C(OC)=O)NC(/C=C/c(cc1)cc2c1OCO2)=O

InChI

InChI=1S/C17H21NO5/c1-11(2)8-13(17(20)21-3)18-16(19)7-5-12-4-6-14-15(9-12)23-10-22-14/h4-7,9,11,13H,8,10H2,1-3H3,(H,18,19)/t13-/m0/s1

InChI Key

BKTUBQOFPQEDEG-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD03043030

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

319.36

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.959

Distribution Coefficient, logD

2.959

Water Solubility, LogSw

-3.38

Polar Surface Area

62.630

Acid Dissociation Constant (pKa)

13.00

Base Dissociation Constant (pKb)

1.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.20

4606-2438 in Drug Discovery

Included in Screening Libraries

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 4606-2438 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4606-2438?
Check Price and Availability of 4606-2438, 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 4606-2438 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4606-2438
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4606-2438
  • 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 4606-2438 available by request