8020-8610 Screening compound: 3-(4-hydroxy-6-methyl-2-oxo-2H-pyran-3-yl)-N~1~-(4-hydroxyphenethyl)-3-(3,4,5-trimethoxyphenyl)propanamide

8020-8610 Screening compound: 3-(4-hydroxy-6-methyl-2-oxo-2H-pyran-3-yl)-N~1~-(4-hydroxyphenethyl)-3-(3,4,5-trimethoxyphenyl)propanamide
8020-8610 Screening compound: 3-(4-hydroxy-6-methyl-2-oxo-2H-pyran-3-yl)-N~1~-(4-hydroxyphenethyl)-3-(3,4,5-trimethoxyphenyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-8610
3-(4-hydroxy-6-methyl-2-oxo-2H-pyran-3-yl)-N~1~-(4-hydroxyphenethyl)-3-(3,4,5-trimethoxyphenyl)propanamide

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

8020-8610

Molecular Formula

C26H29NO8 (C26 H29 NO8)

Compound Name

3-(4-hydroxy-6-methyl-2-oxo-2H-pyran-3-yl)-N~1~-(4-hydroxyphenethyl)-3-(3,4,5-trimethoxyphenyl)propanamide

IUPAC name

3-(4-hydroxy-6-methyl-2-oxo-2H-pyran-3-yl)-N-[2-(4-hydroxyphenyl)ethyl]-3-(345-trimethoxyphenyl)propanamide

SMILES

CC(O1)=CC(O)=C(C(CC(NCCc(cc2)ccc2O)=O)c(cc2OC)cc(OC)c2OC)C1=O

InChI

InChI=1S/C26H29NO8/c1-15-11-20(29)24(26(31)35-15)19(17-12-21(32-2)25(34-4)22(13-17)33-3)14-23(30)27-10-9-16-5-7-18(28)8-6-16/h5-8,11-13,19,28-29H,9-10,14H2,1-4H3,(H,27,30)/t19-/m0/s1

InChI Key

PPBXSJWXJKOPFL-IBGZPJMESA-N

MDL Number (MFCD)

MFCD30711804

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.52

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.668

Distribution Coefficient, logD

-1.324

Water Solubility, LogSw

-2.30

Polar Surface Area

102.507

Acid Dissociation Constant (pKa)

4.41

Base Dissociation Constant (pKb)

-2.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.77

8020-8610 in Drug Discovery

Included in Screening Libraries

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8020-8610 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-8610?
Check Price and Availability of 8020-8610, 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 8020-8610 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-8610
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-8610
  • 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 8020-8610 available by request