E475-0592 Screening compound: 6,7-dimethoxy-1-methyl-2-{8-methyl-4H-chromeno[3,4-d][1,2]oxazole-3-carbonyl}-1,2,3,4-tetrahydroisoquinoline

E475-0592 Screening compound: 6,7-dimethoxy-1-methyl-2-{8-methyl-4H-chromeno[3,4-d][1,2]oxazole-3-carbonyl}-1,2,3,4-tetrahydroisoquinoline
E475-0592 Screening compound: 6,7-dimethoxy-1-methyl-2-{8-methyl-4H-chromeno[3,4-d][1,2]oxazole-3-carbonyl}-1,2,3,4-tetrahydroisoquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound E475-0592
6,7-dimethoxy-1-methyl-2-{8-methyl-4H-chromeno[3,4-d][1,2]oxazole-3-carbonyl}-1,2,3,4-tetrahydroisoquinoline

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

E475-0592

Molecular Formula

C24H24N2O5 (C24 H24 N2 O5)

Compound Name

6,7-dimethoxy-1-methyl-2-{8-methyl-4H-chromeno[3,4-d][1,2]oxazole-3-carbonyl}-1,2,3,4-tetrahydroisoquinoline

IUPAC name

67-dimethoxy-1-methyl-2-{8-methyl-4H-chromeno[34-d][12]oxazole-3-carbonyl}-1234-tetrahydroisoquinoline

SMILES

CC(c(cc1OC)c(CC2)cc1OC)N2C(c1noc-2c1COc1c2cc(C)cc1)=O

InChI

InChI=1S/C24H24N2O5/c1-13-5-6-19-17(9-13)23-18(12-30-19)22(25-31-23)24(27)26-8-7-15-10-20(28-3)21(29-4)11-16(15)14(26)2/h5-6,9-11,14H,7-8,12H2,1-4H3/t14-/m0/s1

InChI Key

KDGYKAKZPOBRPI-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD14855611

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.372

Distribution Coefficient, logD

3.372

Water Solubility, LogSw

-3.52

Polar Surface Area

61.515

Acid Dissociation Constant (pKa)

19.32

Base Dissociation Constant (pKb)

-2.49

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

E475-0592 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-Inflammatory Library (24602 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with E475-0592 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E475-0592?
Check Price and Availability of E475-0592, 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 E475-0592 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E475-0592
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E475-0592
  • 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 E475-0592 available by request