8018-5697 Screening compound: methyl 4-hydroxy-5-[1-hydroxy-2-(4-methoxyphenyl)-2-oxoethyl]-2-methylthiophene-3-carboxylate

8018-5697 Screening compound: methyl 4-hydroxy-5-[1-hydroxy-2-(4-methoxyphenyl)-2-oxoethyl]-2-methylthiophene-3-carboxylate
8018-5697 Screening compound: methyl 4-hydroxy-5-[1-hydroxy-2-(4-methoxyphenyl)-2-oxoethyl]-2-methylthiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-5697
methyl 4-hydroxy-5-[1-hydroxy-2-(4-methoxyphenyl)-2-oxoethyl]-2-methylthiophene-3-carboxylate

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

8018-5697

Molecular Formula

C16H16O6S (C16 H16 O6 S)

Compound Name

methyl 4-hydroxy-5-[1-hydroxy-2-(4-methoxyphenyl)-2-oxoethyl]-2-methylthiophene-3-carboxylate

IUPAC name

methyl 4-hydroxy-5-[1-hydroxy-2-(4-methoxyphenyl)-2-oxoethyl]-2-methylthiophene-3-carboxylate

SMILES

Cc1c(C(OC)=O)c(O)c(C(C(c(cc2)ccc2OC)=O)O)s1

InChI

InChI=1S/C16H16O6S/c1-8-11(16(20)22-3)13(18)15(23-8)14(19)12(17)9-4-6-10(21-2)7-5-9/h4-7,14,18-19H,1-3H3/t14-/m0/s1

InChI Key

BBPDYGYGENVVPR-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD07800619

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

336.37

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.420

Distribution Coefficient, logD

2.410

Water Solubility, LogSw

-2.54

Polar Surface Area

74.605

Acid Dissociation Constant (pKa)

9.01

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

8018-5697 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8018-5697 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-5697?
Check Price and Availability of 8018-5697, 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 8018-5697 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-5697
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-5697
  • 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 8018-5697 available by request