C200-3145 Screening compound: ethyl 2-[(6-acetyl-2H-1,3-benzodioxol-5-yl)carbamoyl]acetate

C200-3145 Screening compound: ethyl 2-[(6-acetyl-2H-1,3-benzodioxol-5-yl)carbamoyl]acetate
C200-3145 Screening compound: ethyl 2-[(6-acetyl-2H-1,3-benzodioxol-5-yl)carbamoyl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-3145
ethyl 2-[(6-acetyl-2H-1,3-benzodioxol-5-yl)carbamoyl]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

C200-3145

Molecular Formula

C14H15NO6 (C14 H15 NO6)

Compound Name

ethyl 2-[(6-acetyl-2H-1,3-benzodioxol-5-yl)carbamoyl]acetate

IUPAC name

ethyl 2-[(6-acetyl-2H-13-benzodioxol-5-yl)carbamoyl]acetate

SMILES

CCOC(CC(Nc(cc1OCOc1c1)c1C(C)=O)=O)=O

InChI

InChI=1S/C14H15NO6/c1-3-19-14(18)6-13(17)15-10-5-12-11(20-7-21-12)4-9(10)8(2)16/h4-5H,3,6-7H2,1-2H3,(H,15,17)

InChI Key

RMODOMFGXPAWHJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14726738

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

293.28

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.955

Distribution Coefficient, logD

0.875

Water Solubility, LogSw

-2.03

Polar Surface Area

73.791

Acid Dissociation Constant (pKa)

8.09

Base Dissociation Constant (pKb)

-2.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.70

References: we are preparing a list of scientific research reports with C200-3145 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-3145?
Check Price and Availability of C200-3145, 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 C200-3145 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-3145
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-3145
  • 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 C200-3145 available by request