4606-1766 Screening compound: methyl 2-[(2H-1,3-benzodioxol-5-yl)formamido]-4-methylpentanoate

4606-1766 Screening compound: methyl 2-[(2H-1,3-benzodioxol-5-yl)formamido]-4-methylpentanoate
4606-1766 Screening compound: methyl 2-[(2H-1,3-benzodioxol-5-yl)formamido]-4-methylpentanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4606-1766
methyl 2-[(2H-1,3-benzodioxol-5-yl)formamido]-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

4606-1766

Molecular Formula

C15H19NO5 (C15 H19 NO5)

Compound Name

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

IUPAC name

methyl 2-[(2H-13-benzodioxol-5-yl)formamido]-4-methylpentanoate

SMILES

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

InChI

InChI=1S/C15H19NO5/c1-9(2)6-11(15(18)19-3)16-14(17)10-4-5-12-13(7-10)21-8-20-12/h4-5,7,9,11H,6,8H2,1-3H3,(H,16,17)/t11-/m0/s1

InChI Key

LSWZFWPMIOHBFY-NSHDSACASA-N

MDL Number (MFCD)

MFCD03444883

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

293.32

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.301

Distribution Coefficient, logD

2.301

Water Solubility, LogSw

-2.85

Polar Surface Area

62.843

Acid Dissociation Constant (pKa)

12.45

Base Dissociation Constant (pKb)

-3.45

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.70

4606-1766 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

CORONAVIRUS Library (20774 compounds)

Human GPCR Annotated Library (5539 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 4606-1766 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4606-1766?
Check Price and Availability of 4606-1766, 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 4606-1766 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4606-1766
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4606-1766
  • 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 4606-1766 available by request