3379-0063 Screening compound: 1,8-bis(4-methoxyphenyl)-2,7-bis[(morpholin-4-yl)methyl]octane-1,8-dione

3379-0063 Screening compound: 1,8-bis(4-methoxyphenyl)-2,7-bis[(morpholin-4-yl)methyl]octane-1,8-dione
3379-0063 Screening compound: 1,8-bis(4-methoxyphenyl)-2,7-bis[(morpholin-4-yl)methyl]octane-1,8-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3379-0063
1,8-bis(4-methoxyphenyl)-2,7-bis[(morpholin-4-yl)methyl]octane-1,8-dione

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

3379-0063

Molecular Formula

C32H44N2O6 (C32 H44 N2 O6)

Compound Name

1,8-bis(4-methoxyphenyl)-2,7-bis[(morpholin-4-yl)methyl]octane-1,8-dione

IUPAC name

18-bis(4-methoxyphenyl)-27-bis[(morpholin-4-yl)methyl]octane-18-dione

SMILES

COc(cc1)ccc1C(C(CCCCC(CN1CCOCC1)C(c(cc1)ccc1OC)=O)CN1CCOCC1)=O

InChI

InChI=1S/C32H44N2O6/c1-37-29-11-7-25(8-12-29)31(35)27(23-33-15-19-39-20-16-33)5-3-4-6-28(24-34-17-21-40-22-18-34)32(36)26-9-13-30(38-2)14-10-26/h7-14,27-28H,3-6,15-24H2,1-2H3

InChI Key

WFEGSTRRUUIRTP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00699192

Chemical and Physical Properties

Saltdata

2HCl

Molecular Weight

552.71

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

15.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.120

Distribution Coefficient, logD

4.117

Water Solubility, LogSw

-4.08

Polar Surface Area

65.814

Acid Dissociation Constant (pKa)

20.38

Base Dissociation Constant (pKb)

5.25

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

56.30

3379-0063 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CORONAVIRUS Library (20774 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 3379-0063 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3379-0063?
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What is the minimum amount of 3379-0063 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3379-0063
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3379-0063
  • 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 3379-0063 available by request