8015-5676 Screening compound: 2-({2-[2-(3,4-diethoxyphenyl)acetyl]-3-oxocyclohex-1-en-1-yl}amino)acetic acid

8015-5676 Screening compound: 2-({2-[2-(3,4-diethoxyphenyl)acetyl]-3-oxocyclohex-1-en-1-yl}amino)acetic acid
8015-5676 Screening compound: 2-({2-[2-(3,4-diethoxyphenyl)acetyl]-3-oxocyclohex-1-en-1-yl}amino)acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-5676
2-({2-[2-(3,4-diethoxyphenyl)acetyl]-3-oxocyclohex-1-en-1-yl}amino)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

8015-5676

Molecular Formula

C20H25NO6 (C20 H25 NO6)

Compound Name

2-({2-[2-(3,4-diethoxyphenyl)acetyl]-3-oxocyclohex-1-en-1-yl}amino)acetic acid

IUPAC name

2-({2-[2-(34-diethoxyphenyl)acetyl]-3-oxocyclohex-1-en-1-yl}amino)acetic acid

SMILES

CCOc(ccc(CC(C(C(CCC1)=O)=C1NCC(O)=O)=O)c1)c1OCC

InChI

InChI=1S/C20H25NO6/c1-3-26-17-9-8-13(11-18(17)27-4-2)10-16(23)20-14(21-12-19(24)25)6-5-7-15(20)22/h8-9,11,21H,3-7,10,12H2,1-2H3,(H,24,25)

InChI Key

PVNVJPINRLCFFZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05256877

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.42

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.843

Distribution Coefficient, logD

-2.533

Water Solubility, LogSw

-2.01

Polar Surface Area

79.773

Acid Dissociation Constant (pKa)

4.02

Base Dissociation Constant (pKb)

-0.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.00

References: we are preparing a list of scientific research reports with 8015-5676 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-5676?
Check Price and Availability of 8015-5676, 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 8015-5676 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-5676
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-5676
  • 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 8015-5676 available by request