8020-8609 Screening compound: 3-(4-hydroxy-6-methyl-2-oxo-2H-pyran-3-yl)-N~1~-(4-hydroxyphenethyl)-3-(7-methoxy-1,3-benzodioxol-5-yl)propanamide

8020-8609 Screening compound: 3-(4-hydroxy-6-methyl-2-oxo-2H-pyran-3-yl)-N~1~-(4-hydroxyphenethyl)-3-(7-methoxy-1,3-benzodioxol-5-yl)propanamide
8020-8609 Screening compound: 3-(4-hydroxy-6-methyl-2-oxo-2H-pyran-3-yl)-N~1~-(4-hydroxyphenethyl)-3-(7-methoxy-1,3-benzodioxol-5-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-8609
3-(4-hydroxy-6-methyl-2-oxo-2H-pyran-3-yl)-N~1~-(4-hydroxyphenethyl)-3-(7-methoxy-1,3-benzodioxol-5-yl)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

8020-8609

Molecular Formula

C25H25NO8 (C25 H25 NO8)

Compound Name

3-(4-hydroxy-6-methyl-2-oxo-2H-pyran-3-yl)-N~1~-(4-hydroxyphenethyl)-3-(7-methoxy-1,3-benzodioxol-5-yl)propanamide

IUPAC name

3-(4-hydroxy-6-methyl-2-oxo-2H-pyran-3-yl)-N-[2-(4-hydroxyphenyl)ethyl]-3-(7-methoxy-2H-13-benzodioxol-5-yl)propanamide

SMILES

CC(O1)=CC(O)=C(C(CC(NCCc(cc2)ccc2O)=O)c2cc(OC)c3OCOc3c2)C1=O

InChI

InChI=1S/C25H25NO8/c1-14-9-19(28)23(25(30)34-14)18(16-10-20(31-2)24-21(11-16)32-13-33-24)12-22(29)26-8-7-15-3-5-17(27)6-4-15/h3-6,9-11,18,27-28H,7-8,12-13H2,1-2H3,(H,26,29)/t18-/m0/s1

InChI Key

ONDDKEFCULDSOU-SFHVURJKSA-N

MDL Number (MFCD)

MFCD30711803

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.48

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.817

Distribution Coefficient, logD

-1.175

Water Solubility, LogSw

-2.34

Polar Surface Area

103.960

Acid Dissociation Constant (pKa)

4.41

Base Dissociation Constant (pKb)

-2.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.00

8020-8609 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 8020-8609 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-8609?
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What is the minimum amount of 8020-8609 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-8609
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-8609
  • 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 8020-8609 available by request