4358-3064 Screening compound: 3,4-dimethyl 2-[4-(4-tert-butylphenoxy)butanamido]-4H,5H,6H-cyclopenta[b]thiophene-3,4-dicarboxylate

4358-3064 Screening compound: 3,4-dimethyl 2-[4-(4-tert-butylphenoxy)butanamido]-4H,5H,6H-cyclopenta[b]thiophene-3,4-dicarboxylate
4358-3064 Screening compound: 3,4-dimethyl 2-[4-(4-tert-butylphenoxy)butanamido]-4H,5H,6H-cyclopenta[b]thiophene-3,4-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4358-3064
3,4-dimethyl 2-[4-(4-tert-butylphenoxy)butanamido]-4H,5H,6H-cyclopenta[b]thiophene-3,4-dicarboxylate

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

4358-3064

Molecular Formula

C25H31NO6S (C25 H31 NO6 S)

Compound Name

3,4-dimethyl 2-[4-(4-tert-butylphenoxy)butanamido]-4H,5H,6H-cyclopenta[b]thiophene-3,4-dicarboxylate

IUPAC name

34-dimethyl 2-[4-(4-tert-butylphenoxy)butanamido]-4H5H6H-cyclopenta[b]thiophene-34-dicarboxylate

SMILES

CC(C)(C)c(cc1)ccc1OCCCC(Nc1c(C(OC)=O)c(C(CC2)C(OC)=O)c2s1)=O

InChI

InChI=1S/C25H31NO6S/c1-25(2,3)15-8-10-16(11-9-15)32-14-6-7-19(27)26-22-21(24(29)31-5)20-17(23(28)30-4)12-13-18(20)33-22/h8-11,17H,6-7,12-14H2,1-5H3,(H,26,27)/t17-/m0/s1

InChI Key

SNYKDTAMQVRXDX-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD02367656

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.59

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.006

Distribution Coefficient, logD

3.173

Water Solubility, LogSw

-4.75

Polar Surface Area

72.963

Acid Dissociation Constant (pKa)

5.57

Base Dissociation Constant (pKb)

-5.48

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

48.00

4358-3064 in Drug Discovery

Included in Screening Libraries

Human Transcription Factors Annotated Library (5098 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4358-3064 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4358-3064?
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What is the minimum amount of 4358-3064 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4358-3064
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4358-3064
  • 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 4358-3064 available by request