L365-0090 Screening compound: methyl 2-[({4-[2-(1H-1,3-benzodiazol-2-yl)ethyl]phenyl}carbamoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

L365-0090 Screening compound: methyl 2-[({4-[2-(1H-1,3-benzodiazol-2-yl)ethyl]phenyl}carbamoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
L365-0090 Screening compound: methyl 2-[({4-[2-(1H-1,3-benzodiazol-2-yl)ethyl]phenyl}carbamoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound L365-0090
methyl 2-[({4-[2-(1H-1,3-benzodiazol-2-yl)ethyl]phenyl}carbamoyl)amino]-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

L365-0090

Molecular Formula

C26H26N4O3S (C26 H26 N4 O3 S)

Compound Name

methyl 2-[({4-[2-(1H-1,3-benzodiazol-2-yl)ethyl]phenyl}carbamoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

IUPAC name

methyl 2-[({4-[2-(1H-13-benzodiazol-2-yl)ethyl]phenyl}carbamoyl)amino]-4567-tetrahydro-1-benzothiophene-3-carboxylate

SMILES

COC(c1c(NC(Nc2ccc(CCc3nc(cccc4)c4[nH]3)cc2)=O)sc2c1CCCC2)=O

InChI

InChI=1S/C26H26N4O3S/c1-33-25(31)23-18-6-2-5-9-21(18)34-24(23)30-26(32)27-17-13-10-16(11-14-17)12-15-22-28-19-7-3-4-8-20(19)29-22/h3-4,7-8,10-11,13-14H,2,5-6,9,12,15H2,1H3,(H,28,29)(H2,27,30,32)

InChI Key

SCKHJTAYZQBALT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15125064

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.58

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.118

Distribution Coefficient, logD

4.877

Water Solubility, LogSw

-5.53

Polar Surface Area

73.440

Acid Dissociation Constant (pKa)

6.19

Base Dissociation Constant (pKb)

6.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.90

L365-0090 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system

References: we are preparing a list of scientific research reports with L365-0090 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L365-0090?
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What is the minimum amount of L365-0090 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L365-0090
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L365-0090
  • 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 L365-0090 available by request