8007-5062 Screening compound: 9-{5-bromo-2-[(2,4-dichlorobenzyl)oxy]phenyl}-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione

8007-5062 Screening compound: 9-{5-bromo-2-[(2,4-dichlorobenzyl)oxy]phenyl}-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
8007-5062 Screening compound: 9-{5-bromo-2-[(2,4-dichlorobenzyl)oxy]phenyl}-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8007-5062
9-{5-bromo-2-[(2,4-dichlorobenzyl)oxy]phenyl}-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-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

8007-5062

Molecular Formula

C30H29BrCl2O4 (C30 H29 BrCl2 O4)

Compound Name

9-{5-bromo-2-[(2,4-dichlorobenzyl)oxy]phenyl}-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione

IUPAC name

9-{5-bromo-2-[(24-dichlorophenyl)methoxy]phenyl}-3366-tetramethyl-23456789-octahydro-1H-xanthene-18-dione

SMILES

CC(C)(C1)CC(OC(CC(C)(C)C2)=C(C3c(cc(cc4)Br)c4OCc(ccc(Cl)c4)c4Cl)C2=O)=C3C1=O

InChI

InChI=1S/C30H29BrCl2O4/c1-29(2)11-21(34)27-24(13-29)37-25-14-30(3,4)12-22(35)28(25)26(27)19-9-17(31)6-8-23(19)36-15-16-5-7-18(32)10-20(16)33/h5-10,26H,11-15H2,1-4H3

InChI Key

DBSDPBAJBIBERJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01029562

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

604.37

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

7.998

Distribution Coefficient, logD

7.998

Water Solubility, LogSw

-6.53

Polar Surface Area

40.712

Acid Dissociation Constant (pKa)

25.12

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

References: we are preparing a list of scientific research reports with 8007-5062 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8007-5062
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8007-5062
  • 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 8007-5062 available by request