8007-8107 Screening compound: 9-(4-bromo-3-nitrophenyl)-3,3,6,6-tetramethyl-2,3,4,5,6,7,8,9-octahydro-1H-xanthene-1,8-dione

8007-8107 Screening compound: 9-(4-bromo-3-nitrophenyl)-3,3,6,6-tetramethyl-2,3,4,5,6,7,8,9-octahydro-1H-xanthene-1,8-dione
8007-8107 Screening compound: 9-(4-bromo-3-nitrophenyl)-3,3,6,6-tetramethyl-2,3,4,5,6,7,8,9-octahydro-1H-xanthene-1,8-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8007-8107
9-(4-bromo-3-nitrophenyl)-3,3,6,6-tetramethyl-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

8007-8107

Molecular Formula

C23H24BrNO5 (C23 H24 BrNO5)

Compound Name

9-(4-bromo-3-nitrophenyl)-3,3,6,6-tetramethyl-2,3,4,5,6,7,8,9-octahydro-1H-xanthene-1,8-dione

IUPAC name

9-(4-bromo-3-nitrophenyl)-3366-tetramethyl-23456789-octahydro-1H-xanthene-18-dione

SMILES

CC(C)(C1)CC(OC(CC(C)(C)C2)=C(C3c(cc4)cc([N+]([O-])=O)c4Br)C2=O)=C3C1=O

InChI

InChI=1S/C23H24BrNO5/c1-22(2)8-15(26)20-17(10-22)30-18-11-23(3,4)9-16(27)21(18)19(20)12-5-6-13(24)14(7-12)25(28)29/h5-7,19H,8-11H2,1-4H3

InChI Key

BCFMVXQQEZMFRA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00843520

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.35

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.656

Distribution Coefficient, logD

4.656

Water Solubility, LogSw

-4.65

Polar Surface Area

66.478

Acid Dissociation Constant (pKa)

25.12

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.80

References: we are preparing a list of scientific research reports with 8007-8107 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8007-8107?
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What is the minimum amount of 8007-8107 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8007-8107
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8007-8107
  • 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 8007-8107 available by request