0099-0217 Screening compound: 4-(4-hydroxybenzoyl)benzene-1,3-diol

0099-0217 Screening compound: 4-(4-hydroxybenzoyl)benzene-1,3-diol
0099-0217 Screening compound: 4-(4-hydroxybenzoyl)benzene-1,3-diol alternative view

Chemical Structure Depiction of ChemDiv screening compound 0099-0217
4-(4-hydroxybenzoyl)benzene-1,3-diol

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

0099-0217

Molecular Formula

C13H10O4 (C13 H10 O4)

Compound Name

4-(4-hydroxybenzoyl)benzene-1,3-diol

IUPAC name

4-(4-hydroxybenzoyl)benzene-13-diol

SMILES

Oc(cc1)ccc1C(c(ccc(O)c1)c1O)=O

InChI

InChI=1S/C13H10O4/c14-9-3-1-8(2-4-9)13(17)11-6-5-10(15)7-12(11)16/h1-7,14-16H

InChI Key

OKJFKPFBSPZTAH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00002356

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

230.22

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.279

Distribution Coefficient, logD

1.755

Water Solubility, LogSw

-2.60

Polar Surface Area

65.488

Acid Dissociation Constant (pKa)

7.03

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

0099-0217 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Aging Library (44940 compounds)

Dark Chemical Matter Library (18430 compounds)

Akt-Targeted Library (14764 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Mechanism of action:
  • Epigenetic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 0099-0217 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0099-0217?
Check Price and Availability of 0099-0217, 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 0099-0217 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0099-0217
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0099-0217
  • 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 0099-0217 available by request