8018-5599 Screening compound: methyl 2,3,4-trihydroxybenzoate

8018-5599 Screening compound: methyl 2,3,4-trihydroxybenzoate
8018-5599 Screening compound: methyl 2,3,4-trihydroxybenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-5599
methyl 2,3,4-trihydroxybenzoate

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

8018-5599

Molecular Formula

C8H8O5 (C8 H8 O5)

Compound Name

methyl 2,3,4-trihydroxybenzoate

IUPAC name

methyl 234-trihydroxybenzoate

SMILES

COC(c(ccc(O)c1O)c1O)=O

InChI

InChI=1S/C8H8O5/c1-13-8(12)4-2-3-5(9)7(11)6(4)10/h2-3,9-11H,1H3

InChI Key

ROYOIQWEQVTRBT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02149451

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

184.15

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.231

Distribution Coefficient, logD

1.112

Water Solubility, LogSw

-2.04

Polar Surface Area

68.919

Acid Dissociation Constant (pKa)

7.90

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

8018-5599 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8018-5599 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-5599?
Check Price and Availability of 8018-5599, 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 8018-5599 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-5599
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-5599
  • 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 8018-5599 available by request