8017-1855 Screening compound: 1-(dimethylamino)-4-(4-hydroxy-3-methoxyphenyl)-7,7-dimethyl-4,6,7,8-tetrahydro-2,5(1H,3H)-quinolinedione

8017-1855 Screening compound: 1-(dimethylamino)-4-(4-hydroxy-3-methoxyphenyl)-7,7-dimethyl-4,6,7,8-tetrahydro-2,5(1H,3H)-quinolinedione
8017-1855 Screening compound: 1-(dimethylamino)-4-(4-hydroxy-3-methoxyphenyl)-7,7-dimethyl-4,6,7,8-tetrahydro-2,5(1H,3H)-quinolinedione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-1855
1-(dimethylamino)-4-(4-hydroxy-3-methoxyphenyl)-7,7-dimethyl-4,6,7,8-tetrahydro-2,5(1H,3H)-quinolinedione

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

8017-1855

Molecular Formula

C20H26N2O4 (C20 H26 N2 O4)

Compound Name

1-(dimethylamino)-4-(4-hydroxy-3-methoxyphenyl)-7,7-dimethyl-4,6,7,8-tetrahydro-2,5(1H,3H)-quinolinedione

IUPAC name

1-(dimethylamino)-4-(4-hydroxy-3-methoxyphenyl)-77-dimethyl-12345678-octahydroquinoline-25-dione

SMILES

CC(C)(C1)CC(N(C(CC2c(cc3)cc(OC)c3O)=O)N(C)C)=C2C1=O

InChI

InChI=1S/C20H26N2O4/c1-20(2)10-14-19(16(24)11-20)13(9-18(25)22(14)21(3)4)12-6-7-15(23)17(8-12)26-5/h6-8,13,23H,9-11H2,1-5H3/t13-/m1/s1

InChI Key

BMKHPDUCOITCSC-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD06014756

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.385

Distribution Coefficient, logD

1.384

Water Solubility, LogSw

-2.07

Polar Surface Area

62.299

Acid Dissociation Constant (pKa)

10.11

Base Dissociation Constant (pKb)

-0.30

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with 8017-1855 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-1855?
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What is the minimum amount of 8017-1855 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-1855
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-1855
  • 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 8017-1855 available by request