5285-0182 Screening compound: 4-(3,3,6,6-tetramethyl-1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)phenyl 2-methylbenzoate

5285-0182 Screening compound: 4-(3,3,6,6-tetramethyl-1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)phenyl 2-methylbenzoate
5285-0182 Screening compound: 4-(3,3,6,6-tetramethyl-1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)phenyl 2-methylbenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5285-0182
4-(3,3,6,6-tetramethyl-1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)phenyl 2-methylbenzoate

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

5285-0182

Molecular Formula

C31H32O5 (C31 H32 O5)

Compound Name

4-(3,3,6,6-tetramethyl-1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)phenyl 2-methylbenzoate

IUPAC name

4-(3366-tetramethyl-18-dioxo-23456789-octahydro-1H-xanthen-9-yl)phenyl 2-methylbenzoate

SMILES

CC(C)(C1)CC(OC(CC(C)(C)C2)=C(C3c(cc4)ccc4OC(c4c(C)cccc4)=O)C2=O)=C3C1=O

InChI

InChI=1S/C31H32O5/c1-18-8-6-7-9-21(18)29(34)35-20-12-10-19(11-13-20)26-27-22(32)14-30(2,3)16-24(27)36-25-17-31(4,5)15-23(33)28(25)26/h6-13,26H,14-17H2,1-5H3

InChI Key

XUSODRXTQMIXGH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06067904

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.59

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.694

Distribution Coefficient, logD

5.694

Water Solubility, LogSw

-5.73

Polar Surface Area

53.775

Acid Dissociation Constant (pKa)

25.12

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.70

References: we are preparing a list of scientific research reports with 5285-0182 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5285-0182?
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What is the minimum amount of 5285-0182 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5285-0182
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5285-0182
  • 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 5285-0182 available by request