8016-7079 Screening compound: methyl 4-hydroxy-5-{[3-hydroxy-4-(methoxycarbonyl)-5-methylthiophen-2-yl][4-(propan-2-yl)phenyl]methyl}-2-methylthiophene-3-carboxylate

8016-7079 Screening compound: methyl 4-hydroxy-5-{[3-hydroxy-4-(methoxycarbonyl)-5-methylthiophen-2-yl][4-(propan-2-yl)phenyl]methyl}-2-methylthiophene-3-carboxylate
8016-7079 Screening compound: methyl 4-hydroxy-5-{[3-hydroxy-4-(methoxycarbonyl)-5-methylthiophen-2-yl][4-(propan-2-yl)phenyl]methyl}-2-methylthiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-7079
methyl 4-hydroxy-5-{[3-hydroxy-4-(methoxycarbonyl)-5-methylthiophen-2-yl][4-(propan-2-yl)phenyl]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

8016-7079

Molecular Formula

C24H26O6S2 (C24 H26 O6 S2)

Compound Name

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

IUPAC name

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

SMILES

CC(C)c1ccc(C(c(sc(C)c2C(OC)=O)c2O)c(sc(C)c2C(OC)=O)c2O)cc1

InChI

InChI=1S/C24H26O6S2/c1-11(2)14-7-9-15(10-8-14)18(21-19(25)16(12(3)31-21)23(27)29-5)22-20(26)17(13(4)32-22)24(28)30-6/h7-11,18,25-26H,1-6H3

InChI Key

LNWYHAXGPFSGCZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05858510

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.6

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.558

Distribution Coefficient, logD

6.558

Water Solubility, LogSw

-5.91

Polar Surface Area

75.038

Acid Dissociation Constant (pKa)

10.45

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

8016-7079 in Drug Discovery

Included in Screening Libraries

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 8016-7079 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-7079?
Check Price and Availability of 8016-7079, 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 8016-7079 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-7079
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-7079
  • 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 8016-7079 available by request