L312-0198 Screening compound: methyl 5-(4-ethoxybenzamido)-3-propoxy-1-benzothiophene-2-carboxylate

L312-0198 Screening compound: methyl 5-(4-ethoxybenzamido)-3-propoxy-1-benzothiophene-2-carboxylate
L312-0198 Screening compound: methyl 5-(4-ethoxybenzamido)-3-propoxy-1-benzothiophene-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound L312-0198
methyl 5-(4-ethoxybenzamido)-3-propoxy-1-benzothiophene-2-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

L312-0198

Molecular Formula

C22H23NO5S (C22 H23 NO5 S)

Compound Name

methyl 5-(4-ethoxybenzamido)-3-propoxy-1-benzothiophene-2-carboxylate

IUPAC name

methyl 5-(4-ethoxybenzamido)-3-propoxy-1-benzothiophene-2-carboxylate

SMILES

CCCOc1c(C(OC)=O)sc(cc2)c1cc2NC(c(cc1)ccc1OCC)=O

InChI

InChI=1S/C22H23NO5S/c1-4-12-28-19-17-13-15(8-11-18(17)29-20(19)22(25)26-3)23-21(24)14-6-9-16(10-7-14)27-5-2/h6-11,13H,4-5,12H2,1-3H3,(H,23,24)

InChI Key

FDOJKYODYWWGPP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15123476

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.177

Distribution Coefficient, logD

5.177

Water Solubility, LogSw

-5.14

Polar Surface Area

59.965

Acid Dissociation Constant (pKa)

10.91

Base Dissociation Constant (pKb)

-2.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

L312-0198 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with L312-0198 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L312-0198?
Check Price and Availability of L312-0198, 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 L312-0198 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L312-0198
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L312-0198
  • 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 L312-0198 available by request