3396-0024 Screening compound: ethyl 2-(2-{[2-(phenylformamido)pentanoyl]oxy}acetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

3396-0024 Screening compound: ethyl 2-(2-{[2-(phenylformamido)pentanoyl]oxy}acetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
3396-0024 Screening compound: ethyl 2-(2-{[2-(phenylformamido)pentanoyl]oxy}acetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3396-0024
ethyl 2-(2-{[2-(phenylformamido)pentanoyl]oxy}acetamido)-4,5,6,7-tetrahydro-1-benzothiophene-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

3396-0024

Molecular Formula

C25H30N2O6S (C25 H30 N2 O6 S)

Compound Name

ethyl 2-(2-{[2-(phenylformamido)pentanoyl]oxy}acetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

IUPAC name

ethyl 2-(2-{[2-(phenylformamido)pentanoyl]oxy}acetamido)-4567-tetrahydro-1-benzothiophene-3-carboxylate

SMILES

CCCC(C(OCC(Nc1c(C(OCC)=O)c(CCCC2)c2s1)=O)=O)NC(c1ccccc1)=O

InChI

InChI=1S/C25H30N2O6S/c1-3-10-18(26-22(29)16-11-6-5-7-12-16)24(30)33-15-20(28)27-23-21(25(31)32-4-2)17-13-8-9-14-19(17)34-23/h5-7,11-12,18H,3-4,8-10,13-15H2,1-2H3,(H,26,29)(H,27,28)/t18-/m0/s1

InChI Key

CZVXPXMUKHFURX-SFHVURJKSA-N

MDL Number (MFCD)

MFCD02219677

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.59

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.105

Distribution Coefficient, logD

2.006

Water Solubility, LogSw

-4.27

Polar Surface Area

89.029

Acid Dissociation Constant (pKa)

5.30

Base Dissociation Constant (pKb)

-3.21

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.00

3396-0024 in Drug Discovery

Included in Screening Libraries

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 3396-0024 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3396-0024?
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What is the minimum amount of 3396-0024 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3396-0024
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3396-0024
  • 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 3396-0024 available by request