6554-3358 Screening compound: 3,3-dimethyl-2-oxobutyl 2-{2-[(4-methoxyphenyl)formamido]acetamido}acetate

6554-3358 Screening compound: 3,3-dimethyl-2-oxobutyl 2-{2-[(4-methoxyphenyl)formamido]acetamido}acetate
6554-3358 Screening compound: 3,3-dimethyl-2-oxobutyl 2-{2-[(4-methoxyphenyl)formamido]acetamido}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6554-3358
3,3-dimethyl-2-oxobutyl 2-{2-[(4-methoxyphenyl)formamido]acetamido}acetate

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

6554-3358

Molecular Formula

C18H24N2O6 (C18 H24 N2 O6)

Compound Name

3,3-dimethyl-2-oxobutyl 2-{2-[(4-methoxyphenyl)formamido]acetamido}acetate

IUPAC name

33-dimethyl-2-oxobutyl 2-{2-[(4-methoxyphenyl)formamido]acetamido}acetate

SMILES

CC(C)(C)C(COC(CNC(CNC(c(cc1)ccc1OC)=O)=O)=O)=O

InChI

InChI=1S/C18H24N2O6/c1-18(2,3)14(21)11-26-16(23)10-19-15(22)9-20-17(24)12-5-7-13(25-4)8-6-12/h5-8H,9-11H2,1-4H3,(H,19,22)(H,20,24)

InChI Key

GTZUEKHLXIMLGP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03718085

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.4

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.027

Distribution Coefficient, logD

2.027

Water Solubility, LogSw

-2.46

Polar Surface Area

90.720

Acid Dissociation Constant (pKa)

12.79

Base Dissociation Constant (pKb)

-0.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

6554-3358 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Soluble Diversity Library (15920 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 6554-3358 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6554-3358?
Check Price and Availability of 6554-3358, 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 6554-3358 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6554-3358
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6554-3358
  • 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 6554-3358 available by request