4488-2007 Screening compound: methyl 2-(6-tert-butyl-2-propanamido-4,5,6,7-tetrahydro-1-benzothiophene-3-amido)benzoate

4488-2007 Screening compound: methyl 2-(6-tert-butyl-2-propanamido-4,5,6,7-tetrahydro-1-benzothiophene-3-amido)benzoate
4488-2007 Screening compound: methyl 2-(6-tert-butyl-2-propanamido-4,5,6,7-tetrahydro-1-benzothiophene-3-amido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4488-2007
methyl 2-(6-tert-butyl-2-propanamido-4,5,6,7-tetrahydro-1-benzothiophene-3-amido)benzoate

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

4488-2007

Molecular Formula

C24H30N2O4S (C24 H30 N2 O4 S)

Compound Name

methyl 2-(6-tert-butyl-2-propanamido-4,5,6,7-tetrahydro-1-benzothiophene-3-amido)benzoate

IUPAC name

methyl 2-(6-tert-butyl-2-propanamido-4567-tetrahydro-1-benzothiophene-3-amido)benzoate

SMILES

CCC(Nc1c(C(Nc(cccc2)c2C(OC)=O)=O)c(CCC(C2)C(C)(C)C)c2s1)=O

InChI

InChI=1S/C24H30N2O4S/c1-6-19(27)26-22-20(16-12-11-14(24(2,3)4)13-18(16)31-22)21(28)25-17-10-8-7-9-15(17)23(29)30-5/h7-10,14H,6,11-13H2,1-5H3,(H,25,28)(H,26,27)/t14-/m1/s1

InChI Key

NFOXADPQQHCULZ-CQSZACIVSA-N

MDL Number (MFCD)

MFCD02920153

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.373

Distribution Coefficient, logD

5.238

Water Solubility, LogSw

-5.40

Polar Surface Area

66.670

Acid Dissociation Constant (pKa)

7.84

Base Dissociation Constant (pKb)

-5.17

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.80

4488-2007 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Lipid Metabolism Library (9174 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with 4488-2007 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4488-2007?
Check Price and Availability of 4488-2007, 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 4488-2007 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4488-2007
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4488-2007
  • 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 4488-2007 available by request