4275-1890 Screening compound: methyl 2-(4-ethoxy-4-oxobutanamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

4275-1890 Screening compound: methyl 2-(4-ethoxy-4-oxobutanamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
4275-1890 Screening compound: methyl 2-(4-ethoxy-4-oxobutanamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4275-1890
methyl 2-(4-ethoxy-4-oxobutanamido)-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

4275-1890

Molecular Formula

C16H21NO5S (C16 H21 NO5 S)

Compound Name

methyl 2-(4-ethoxy-4-oxobutanamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

IUPAC name

methyl 2-(4-ethoxy-4-oxobutanamido)-4567-tetrahydro-1-benzothiophene-3-carboxylate

SMILES

CCOC(CCC(Nc1c(C(OC)=O)c(CCCC2)c2s1)=O)=O

InChI

InChI=1S/C16H21NO5S/c1-3-22-13(19)9-8-12(18)17-15-14(16(20)21-2)10-6-4-5-7-11(10)23-15/h3-9H2,1-2H3,(H,17,18)

InChI Key

YTULSHQTVAGQDI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02604027

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

339.41

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.517

Distribution Coefficient, logD

0.121

Water Solubility, LogSw

-2.66

Polar Surface Area

64.435

Acid Dissociation Constant (pKa)

5.01

Base Dissociation Constant (pKb)

-4.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

56.30

References: we are preparing a list of scientific research reports with 4275-1890 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4275-1890?
Check Price and Availability of 4275-1890, 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 4275-1890 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4275-1890
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4275-1890
  • 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 4275-1890 available by request