Y207-5558 Screening compound: 7-[4-(tert-butyl)phenyl]-4-(4-hydroxy-3-methoxyphenyl)-4,6,7,8-tetrahydro-2,5(1H,3H)-quinolinedione

Y207-5558 Screening compound: 7-[4-(tert-butyl)phenyl]-4-(4-hydroxy-3-methoxyphenyl)-4,6,7,8-tetrahydro-2,5(1H,3H)-quinolinedione
Y207-5558 Screening compound: 7-[4-(tert-butyl)phenyl]-4-(4-hydroxy-3-methoxyphenyl)-4,6,7,8-tetrahydro-2,5(1H,3H)-quinolinedione alternative view

Chemical Structure Depiction of ChemDiv screening compound Y207-5558
7-[4-(tert-butyl)phenyl]-4-(4-hydroxy-3-methoxyphenyl)-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

Y207-5558

Molecular Formula

C26H29NO4 (C26 H29 NO4)

Compound Name

7-[4-(tert-butyl)phenyl]-4-(4-hydroxy-3-methoxyphenyl)-4,6,7,8-tetrahydro-2,5(1H,3H)-quinolinedione

IUPAC name

7-(4-tert-butylphenyl)-4-(4-hydroxy-3-methoxyphenyl)-12345678-octahydroquinoline-25-dione

SMILES

CC(C)(C)c1ccc(C(C2)CC(NC(CC3c(cc4)cc(OC)c4O)=O)=C3C2=O)cc1

InChI

InChI=1S/C26H29NO4/c1-26(2,3)18-8-5-15(6-9-18)17-11-20-25(22(29)12-17)19(14-24(30)27-20)16-7-10-21(28)23(13-16)31-4/h5-10,13,17,19,28H,11-12,14H2,1-4H3,(H,27,30)

InChI Key

FGOXYXKMGFBSAE-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.635

Distribution Coefficient, logD

3.372

Water Solubility, LogSw

-4.20

Polar Surface Area

61.913

Acid Dissociation Constant (pKa)

6.16

Base Dissociation Constant (pKb)

-0.95

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

38.46

Y207-5558 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 Y207-5558 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y207-5558?
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What is the minimum amount of Y207-5558 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y207-5558
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y207-5558
  • 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 Y207-5558 available by request