8016-7142 Screening compound: methyl 4-hydroxy-5-{[3-hydroxy-4-(methoxycarbonyl)-5-methylthiophen-2-yl](naphthalen-2-yl)methyl}-2-methylthiophene-3-carboxylate

8016-7142 Screening compound: methyl 4-hydroxy-5-{[3-hydroxy-4-(methoxycarbonyl)-5-methylthiophen-2-yl](naphthalen-2-yl)methyl}-2-methylthiophene-3-carboxylate
8016-7142 Screening compound: methyl 4-hydroxy-5-{[3-hydroxy-4-(methoxycarbonyl)-5-methylthiophen-2-yl](naphthalen-2-yl)methyl}-2-methylthiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-7142
methyl 4-hydroxy-5-{[3-hydroxy-4-(methoxycarbonyl)-5-methylthiophen-2-yl](naphthalen-2-yl)methyl}-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

8016-7142

Molecular Formula

C25H22O6S2 (C25 H22 O6 S2)

Compound Name

methyl 4-hydroxy-5-{[3-hydroxy-4-(methoxycarbonyl)-5-methylthiophen-2-yl](naphthalen-2-yl)methyl}-2-methylthiophene-3-carboxylate

IUPAC name

methyl 4-hydroxy-5-{[3-hydroxy-4-(methoxycarbonyl)-5-methylthiophen-2-yl](naphthalen-2-yl)methyl}-2-methylthiophene-3-carboxylate

SMILES

Cc1c(C(OC)=O)c(O)c(C(c(sc(C)c2C(OC)=O)c2O)c2cc3ccccc3cc2)s1

InChI

InChI=1S/C25H22O6S2/c1-12-17(24(28)30-3)20(26)22(32-12)19(16-10-9-14-7-5-6-8-15(14)11-16)23-21(27)18(13(2)33-23)25(29)31-4/h5-11,19,26-27H,1-4H3

InChI Key

HPAGLUNUASCGAR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05858573

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.58

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.465

Distribution Coefficient, logD

6.465

Water Solubility, LogSw

-6.57

Polar Surface Area

74.767

Acid Dissociation Constant (pKa)

10.45

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

8016-7142 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8016-7142 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-7142?
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What is the minimum amount of 8016-7142 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-7142
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-7142
  • 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 8016-7142 available by request