3366-8062 Screening compound: methyl 2-[4-(2,4-dichlorophenoxy)butanamido]-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxylate

3366-8062 Screening compound: methyl 2-[4-(2,4-dichlorophenoxy)butanamido]-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxylate
3366-8062 Screening compound: methyl 2-[4-(2,4-dichlorophenoxy)butanamido]-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3366-8062
methyl 2-[4-(2,4-dichlorophenoxy)butanamido]-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-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

3366-8062

Molecular Formula

C21H23Cl2NO4S (C21 H23 Cl2 NO4 S)

Compound Name

methyl 2-[4-(2,4-dichlorophenoxy)butanamido]-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxylate

IUPAC name

methyl 2-[4-(24-dichlorophenoxy)butanamido]-4H5H6H7H8H-cyclohepta[b]thiophene-3-carboxylate

SMILES

COC(c1c(NC(CCCOc(ccc(Cl)c2)c2Cl)=O)sc2c1CCCCC2)=O

InChI

InChI=1S/C21H23Cl2NO4S/c1-27-21(26)19-14-6-3-2-4-7-17(14)29-20(19)24-18(25)8-5-11-28-16-10-9-13(22)12-15(16)23/h9-10,12H,2-8,11H2,1H3,(H,24,25)

InChI Key

SYIQGKLAEFBLGJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01358055

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.441

Distribution Coefficient, logD

3.117

Water Solubility, LogSw

-6.15

Polar Surface Area

51.840

Acid Dissociation Constant (pKa)

5.08

Base Dissociation Constant (pKb)

-3.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

3366-8062 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 3366-8062 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3366-8062?
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What is the minimum amount of 3366-8062 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3366-8062
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3366-8062
  • 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 3366-8062 available by request