L062-0501 Screening compound: 5-({[(2-ethoxyphenyl)carbamoyl]amino}methyl)-N-phenyl-1,3,4-thiadiazole-2-carboxamide

L062-0501 Screening compound: 5-({[(2-ethoxyphenyl)carbamoyl]amino}methyl)-N-phenyl-1,3,4-thiadiazole-2-carboxamide
L062-0501 Screening compound: 5-({[(2-ethoxyphenyl)carbamoyl]amino}methyl)-N-phenyl-1,3,4-thiadiazole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L062-0501
5-({[(2-ethoxyphenyl)carbamoyl]amino}methyl)-N-phenyl-1,3,4-thiadiazole-2-carboxamide

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

L062-0501

Molecular Formula

C19H19N5O3S (C19 H19 N5 O3 S)

Compound Name

5-({[(2-ethoxyphenyl)carbamoyl]amino}methyl)-N-phenyl-1,3,4-thiadiazole-2-carboxamide

IUPAC name

5-({[(2-ethoxyphenyl)carbamoyl]amino}methyl)-N-phenyl-134-thiadiazole-2-carboxamide

SMILES

CCOc(cccc1)c1NC(NCc1nnc(C(Nc2ccccc2)=O)s1)=O

InChI

InChI=1S/C19H19N5O3S/c1-2-27-15-11-7-6-10-14(15)22-19(26)20-12-16-23-24-18(28-16)17(25)21-13-8-4-3-5-9-13/h3-11H,2,12H2,1H3,(H,21,25)(H2,20,22,26)

InChI Key

SYCNTQLBXVCROG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27228051

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.840

Distribution Coefficient, logD

2.840

Water Solubility, LogSw

-3.50

Polar Surface Area

87.466

Acid Dissociation Constant (pKa)

11.40

Base Dissociation Constant (pKb)

-0.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

L062-0501 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with L062-0501 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L062-0501?
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What is the minimum amount of L062-0501 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L062-0501
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L062-0501
  • 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 L062-0501 available by request