8016-5167 Screening compound: methyl 4-hydroxy-5-{[3-hydroxy-4-(methoxycarbonyl)-5-methylthiophen-2-yl](4-methoxyphenyl)methyl}-2-methylthiophene-3-carboxylate

8016-5167 Screening compound: methyl 4-hydroxy-5-{[3-hydroxy-4-(methoxycarbonyl)-5-methylthiophen-2-yl](4-methoxyphenyl)methyl}-2-methylthiophene-3-carboxylate
8016-5167 Screening compound: methyl 4-hydroxy-5-{[3-hydroxy-4-(methoxycarbonyl)-5-methylthiophen-2-yl](4-methoxyphenyl)methyl}-2-methylthiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-5167
methyl 4-hydroxy-5-{[3-hydroxy-4-(methoxycarbonyl)-5-methylthiophen-2-yl](4-methoxyphenyl)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

8016-5167

Molecular Formula

C22H22O7S2 (C22 H22 O7 S2)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(C(OC)=O)c(O)c(C(c(sc(C)c2C(OC)=O)c2O)c(cc2)ccc2OC)s1

InChI

InChI=1S/C22H22O7S2/c1-10-14(21(25)28-4)17(23)19(30-10)16(12-6-8-13(27-3)9-7-12)20-18(24)15(11(2)31-20)22(26)29-5/h6-9,16,23-24H,1-5H3

InChI Key

MTTFOBDDUMNIJB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05857000

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.54

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.202

Distribution Coefficient, logD

5.202

Water Solubility, LogSw

-5.25

Polar Surface Area

82.582

Acid Dissociation Constant (pKa)

10.45

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

References: we are preparing a list of scientific research reports with 8016-5167 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-5167?
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What is the minimum amount of 8016-5167 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-5167
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-5167
  • 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 8016-5167 available by request