8016-7060 Screening compound: methyl 5-{(2,5-dimethyl-3-thienyl)[3-hydroxy-4-(methoxycarbonyl)-5-methyl-2-thienyl]methyl}-4-hydroxy-2-methyl-3-thiophenecarboxylate

8016-7060 Screening compound: methyl 5-{(2,5-dimethyl-3-thienyl)[3-hydroxy-4-(methoxycarbonyl)-5-methyl-2-thienyl]methyl}-4-hydroxy-2-methyl-3-thiophenecarboxylate
8016-7060 Screening compound: methyl 5-{(2,5-dimethyl-3-thienyl)[3-hydroxy-4-(methoxycarbonyl)-5-methyl-2-thienyl]methyl}-4-hydroxy-2-methyl-3-thiophenecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-7060
methyl 5-{(2,5-dimethyl-3-thienyl)[3-hydroxy-4-(methoxycarbonyl)-5-methyl-2-thienyl]methyl}-4-hydroxy-2-methyl-3-thiophenecarboxylate

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

8016-7060

Molecular Formula

C21H22O6S3 (C21 H22 O6 S3)

Compound Name

methyl 5-{(2,5-dimethyl-3-thienyl)[3-hydroxy-4-(methoxycarbonyl)-5-methyl-2-thienyl]methyl}-4-hydroxy-2-methyl-3-thiophenecarboxylate

IUPAC name

methyl 5-[(25-dimethylthiophen-3-yl)[3-hydroxy-4-(methoxycarbonyl)-5-methylthiophen-2-yl]methyl]-4-hydroxy-2-methylthiophene-3-carboxylate

SMILES

Cc1cc(C(c(sc(C)c2C(OC)=O)c2O)c(sc(C)c2C(OC)=O)c2O)c(C)s1

InChI

InChI=1S/C21H22O6S3/c1-8-7-12(9(2)28-8)15(18-16(22)13(10(3)29-18)20(24)26-5)19-17(23)14(11(4)30-19)21(25)27-6/h7,15,22-23H,1-6H3

InChI Key

QKCSDBOTQZMEKQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05858491

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.6

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

5.977

Distribution Coefficient, logD

5.976

Water Solubility, LogSw

-5.48

Polar Surface Area

76.056

Acid Dissociation Constant (pKa)

10.42

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.33

8016-7060 in Drug Discovery

Included in Screening Libraries

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8016-7060 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-7060?
Check Price and Availability of 8016-7060, 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 8016-7060 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-7060
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-7060
  • 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 8016-7060 available by request