1454-1193 Screening compound: 3,3,6,6-tetramethyl-9-[4-(propan-2-yl)phenyl]-2,3,4,5,6,7,8,9-octahydro-1H-xanthene-1,8-dione

1454-1193 Screening compound: 3,3,6,6-tetramethyl-9-[4-(propan-2-yl)phenyl]-2,3,4,5,6,7,8,9-octahydro-1H-xanthene-1,8-dione
1454-1193 Screening compound: 3,3,6,6-tetramethyl-9-[4-(propan-2-yl)phenyl]-2,3,4,5,6,7,8,9-octahydro-1H-xanthene-1,8-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 1454-1193
3,3,6,6-tetramethyl-9-[4-(propan-2-yl)phenyl]-2,3,4,5,6,7,8,9-octahydro-1H-xanthene-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

1454-1193

Molecular Formula

C26H32O3 (C26 H32 O3)

Compound Name

3,3,6,6-tetramethyl-9-[4-(propan-2-yl)phenyl]-2,3,4,5,6,7,8,9-octahydro-1H-xanthene-1,8-dione

IUPAC name

3366-tetramethyl-9-[4-(propan-2-yl)phenyl]-23456789-octahydro-1H-xanthene-18-dione

SMILES

CC(C)c1ccc(C2C(C(CC(C)(C)C3)=O)=C3OC(CC(C)(C)C3)=C2C3=O)cc1

InChI

InChI=1S/C26H32O3/c1-15(2)16-7-9-17(10-8-16)22-23-18(27)11-25(3,4)13-20(23)29-21-14-26(5,6)12-19(28)24(21)22/h7-10,15,22H,11-14H2,1-6H3

InChI Key

DODJWSAUPKSHHJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01001731

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.54

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.422

Distribution Coefficient, logD

5.422

Water Solubility, LogSw

-5.61

Polar Surface Area

33.397

Acid Dissociation Constant (pKa)

24.08

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

53.80

References: we are preparing a list of scientific research reports with 1454-1193 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1454-1193?
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What is the minimum amount of 1454-1193 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1454-1193
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1454-1193
  • 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 1454-1193 available by request