L311-0093 Screening compound: methyl 5-{[(2-methoxyphenyl)carbamoyl]amino}-3-propoxy-1-benzothiophene-2-carboxylate

L311-0093 Screening compound: methyl 5-{[(2-methoxyphenyl)carbamoyl]amino}-3-propoxy-1-benzothiophene-2-carboxylate
L311-0093 Screening compound: methyl 5-{[(2-methoxyphenyl)carbamoyl]amino}-3-propoxy-1-benzothiophene-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound L311-0093
methyl 5-{[(2-methoxyphenyl)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

L311-0093

Molecular Formula

C21H22N2O5S (C21 H22 N2 O5 S)

Compound Name

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

IUPAC name

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

SMILES

CCCOc1c(C(OC)=O)sc(cc2)c1cc2NC(Nc(cccc1)c1OC)=O

InChI

InChI=1S/C21H22N2O5S/c1-4-11-28-18-14-12-13(9-10-17(14)29-19(18)20(24)27-3)22-21(25)23-15-7-5-6-8-16(15)26-2/h5-10,12H,4,11H2,1-3H3,(H2,22,23,25)

InChI Key

GPTCESQSVCJORF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27244681

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.212

Distribution Coefficient, logD

5.212

Water Solubility, LogSw

-5.16

Polar Surface Area

68.986

Acid Dissociation Constant (pKa)

11.97

Base Dissociation Constant (pKb)

0.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

L311-0093 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 L311-0093 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L311-0093?
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What is the minimum amount of L311-0093 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L311-0093
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L311-0093
  • 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 L311-0093 available by request