8020-8584 Screening compound: 3-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-3-(4-hydroxy-2-oxo-2H-chromen-3-yl)-N~1~-(4-hydroxyphenethyl)propanamide

8020-8584 Screening compound: 3-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-3-(4-hydroxy-2-oxo-2H-chromen-3-yl)-N~1~-(4-hydroxyphenethyl)propanamide
8020-8584 Screening compound: 3-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-3-(4-hydroxy-2-oxo-2H-chromen-3-yl)-N~1~-(4-hydroxyphenethyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-8584
3-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-3-(4-hydroxy-2-oxo-2H-chromen-3-yl)-N~1~-(4-hydroxyphenethyl)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

8020-8584

Molecular Formula

C29H27NO9 (C29 H27 NO9)

Compound Name

3-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-3-(4-hydroxy-2-oxo-2H-chromen-3-yl)-N~1~-(4-hydroxyphenethyl)propanamide

IUPAC name

3-(47-dimethoxy-2H-13-benzodioxol-5-yl)-3-(4-hydroxy-2-oxo-2H-chromen-3-yl)-N-[2-(4-hydroxyphenyl)ethyl]propanamide

SMILES

COc(c1c2OCO1)cc(C(CC(NCCc(cc1)ccc1O)=O)C(C(Oc1c3cccc1)=O)=C3O)c2OC

InChI

InChI=1S/C29H27NO9/c1-35-22-13-20(26(36-2)28-27(22)37-15-38-28)19(14-23(32)30-12-11-16-7-9-17(31)10-8-16)24-25(33)18-5-3-4-6-21(18)39-29(24)34/h3-10,13,19,31,33H,11-12,14-15H2,1-2H3,(H,30,32)/t19-/m0/s1

InChI Key

IPXCBOITZSPTCD-IBGZPJMESA-N

MDL Number (MFCD)

MFCD30711779

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

533.53

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.070

Distribution Coefficient, logD

-0.449

Water Solubility, LogSw

-3.20

Polar Surface Area

109.450

Acid Dissociation Constant (pKa)

4.88

Base Dissociation Constant (pKb)

-1.63

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

24.14

8020-8584 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 8020-8584 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-8584?
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What is the minimum amount of 8020-8584 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-8584
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-8584
  • 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 8020-8584 available by request