4682-0036 Screening compound: 2-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)-N~1~-(2-hydroxyphenyl)acetamide

4682-0036 Screening compound: 2-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)-N~1~-(2-hydroxyphenyl)acetamide
4682-0036 Screening compound: 2-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)-N~1~-(2-hydroxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4682-0036
2-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)-N~1~-(2-hydroxyphenyl)acetamide

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

4682-0036

Molecular Formula

C17H16N2O4 (C17 H16 N2 O4)

Compound Name

2-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)-N~1~-(2-hydroxyphenyl)acetamide

IUPAC name

2-{35-dioxo-4-azatricyclo[5.2.1.0^{26}]dec-8-en-4-yl}-N-(2-hydroxyphenyl)acetamide

SMILES

Oc(cccc1)c1NC(CN(C(C1C2C3C=CC1C3)=O)C2=O)=O

InChI

InChI=1S/C17H16N2O4/c20-12-4-2-1-3-11(12)18-13(21)8-19-16(22)14-9-5-6-10(7-9)15(14)17(19)23/h1-6,9-10,14-15,20H,7-8H2,(H,18,21)

InChI Key

XTPZHDATMXWYRC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03040898

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

312.33

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.977

Distribution Coefficient, logD

0.975

Water Solubility, LogSw

-2.14

Polar Surface Area

69.336

Acid Dissociation Constant (pKa)

9.73

Base Dissociation Constant (pKb)

1.29

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

35.30

References: we are preparing a list of scientific research reports with 4682-0036 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4682-0036?
Check Price and Availability of 4682-0036, 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 4682-0036 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4682-0036
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4682-0036
  • 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 4682-0036 available by request