Y204-3744 Screening compound: 2-[4-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-4-yl)phenyl]acetic acid

Y204-3744 Screening compound: 2-[4-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-4-yl)phenyl]acetic acid
Y204-3744 Screening compound: 2-[4-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-4-yl)phenyl]acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y204-3744
2-[4-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-4-yl)phenyl]acetic acid

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

Y204-3744

Molecular Formula

C17H17NO4 (C17 H17 NO4)

Compound Name

2-[4-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-4-yl)phenyl]acetic acid

IUPAC name

2-(4-{35-dioxo-4-azatricyclo[5.2.1.0^{26}]decan-4-yl}phenyl)acetic acid

SMILES

OC(Cc(cc1)ccc1N(C(C1C2C3CC1CC3)=O)C2=O)=O

InChI

InChI=1S/C17H17NO4/c19-13(20)7-9-1-5-12(6-2-9)18-16(21)14-10-3-4-11(8-10)15(14)17(18)22/h1-2,5-6,10-11,14-15H,3-4,7-8H2,(H,19,20)

InChI Key

YXCSCYFTUQFQGM-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

299.33

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.918

Distribution Coefficient, logD

-2.167

Water Solubility, LogSw

-1.55

Polar Surface Area

58.108

Acid Dissociation Constant (pKa)

4.32

Base Dissociation Constant (pKb)

-2.54

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

47.06

Y204-3744 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y204-3744 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y204-3744?
Check Price and Availability of Y204-3744, 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 Y204-3744 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y204-3744
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y204-3744
  • 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 Y204-3744 available by request