0099-0308 Screening compound: 4,5-dibromo-2,6,7-trihydroxy-9-phenyl-3H-xanthen-3-one

0099-0308 Screening compound: 4,5-dibromo-2,6,7-trihydroxy-9-phenyl-3H-xanthen-3-one
0099-0308 Screening compound: 4,5-dibromo-2,6,7-trihydroxy-9-phenyl-3H-xanthen-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 0099-0308
4,5-dibromo-2,6,7-trihydroxy-9-phenyl-3H-xanthen-3-one

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

0099-0308

Molecular Formula

C19H10Br2O5 (C19 H10 Br2 O5)

Compound Name

4,5-dibromo-2,6,7-trihydroxy-9-phenyl-3H-xanthen-3-one

IUPAC name

45-dibromo-267-trihydroxy-9-phenyl-3H-xanthen-3-one

SMILES

Oc(cc(C(c1ccccc1)=C(C=C(C1=O)O)C(O2)=C1Br)c2c1Br)c1O

InChI

InChI=1S/C19H10Br2O5/c20-14-16(24)11(22)6-9-13(8-4-2-1-3-5-8)10-7-12(23)17(25)15(21)19(10)26-18(9)14/h1-7,22-24H

InChI Key

UZECKVJCPLMMEL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00227468

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.09

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.082

Distribution Coefficient, logD

-2.363

Water Solubility, LogSw

-4.00

Polar Surface Area

68.159

Acid Dissociation Constant (pKa)

0.96

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

0099-0308 in Drug Discovery

Included in Screening Libraries

Autophagy-Targeted Library (4564 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 0099-0308 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0099-0308?
Check Price and Availability of 0099-0308, 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 0099-0308 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0099-0308
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0099-0308
  • 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 0099-0308 available by request