L311-0121 Screening compound: methyl 5-{[(4-ethoxyphenyl)carbamoyl]amino}-3-propoxy-1-benzothiophene-2-carboxylate

L311-0121 Screening compound: methyl 5-{[(4-ethoxyphenyl)carbamoyl]amino}-3-propoxy-1-benzothiophene-2-carboxylate
L311-0121 Screening compound: methyl 5-{[(4-ethoxyphenyl)carbamoyl]amino}-3-propoxy-1-benzothiophene-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound L311-0121
methyl 5-{[(4-ethoxyphenyl)carbamoyl]amino}-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

L311-0121

Molecular Formula

C22H24N2O5S (C22 H24 N2 O5 S)

Compound Name

methyl 5-{[(4-ethoxyphenyl)carbamoyl]amino}-3-propoxy-1-benzothiophene-2-carboxylate

IUPAC name

methyl 5-{[(4-ethoxyphenyl)carbamoyl]amino}-3-propoxy-1-benzothiophene-2-carboxylate

SMILES

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

InChI

InChI=1S/C22H24N2O5S/c1-4-12-29-19-17-13-15(8-11-18(17)30-20(19)21(25)27-3)24-22(26)23-14-6-9-16(10-7-14)28-5-2/h6-11,13H,4-5,12H2,1-3H3,(H2,23,24,26)

InChI Key

KTFDBEYGIRNUDN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27244693

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.827

Distribution Coefficient, logD

5.827

Water Solubility, LogSw

-5.59

Polar Surface Area

69.177

Acid Dissociation Constant (pKa)

13.02

Base Dissociation Constant (pKb)

1.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

L311-0121 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 L311-0121 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L311-0121?
Check Price and Availability of L311-0121, 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 L311-0121 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L311-0121
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L311-0121
  • 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 L311-0121 available by request