2039-0573 Screening compound: 3,3,6,6-tetramethyl-9-[5-(2-nitrophenyl)furan-2-yl]-2,3,4,5,6,7,8,9-octahydro-1H-xanthene-1,8-dione

2039-0573 Screening compound: 3,3,6,6-tetramethyl-9-[5-(2-nitrophenyl)furan-2-yl]-2,3,4,5,6,7,8,9-octahydro-1H-xanthene-1,8-dione
2039-0573 Screening compound: 3,3,6,6-tetramethyl-9-[5-(2-nitrophenyl)furan-2-yl]-2,3,4,5,6,7,8,9-octahydro-1H-xanthene-1,8-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 2039-0573
3,3,6,6-tetramethyl-9-[5-(2-nitrophenyl)furan-2-yl]-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

2039-0573

Molecular Formula

C27H27NO6 (C27 H27 NO6)

Compound Name

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

IUPAC name

3366-tetramethyl-9-[5-(2-nitrophenyl)furan-2-yl]-23456789-octahydro-1H-xanthene-18-dione

SMILES

CC(C)(C1)CC(OC(CC(C)(C)C2)=C(C3c4ccc(-c(cccc5)c5[N+]([O-])=O)o4)C2=O)=C3C1=O

InChI

InChI=1S/C27H27NO6/c1-26(2)11-17(29)23-21(13-26)34-22-14-27(3,4)12-18(30)24(22)25(23)20-10-9-19(33-20)15-7-5-6-8-16(15)28(31)32/h5-10,25H,11-14H2,1-4H3

InChI Key

AKJDKJAMABSQGK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00660186

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.51

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.855

Distribution Coefficient, logD

4.855

Water Solubility, LogSw

-4.80

Polar Surface Area

74.877

Acid Dissociation Constant (pKa)

25.12

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.70

References: we are preparing a list of scientific research reports with 2039-0573 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2039-0573?
Check Price and Availability of 2039-0573, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 2039-0573 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2039-0573
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2039-0573
  • 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 2039-0573 available by request