L062-0577 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-5-({[(4-ethylphenyl)carbamoyl]amino}methyl)-1,3,4-thiadiazole-2-carboxamide

L062-0577 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-5-({[(4-ethylphenyl)carbamoyl]amino}methyl)-1,3,4-thiadiazole-2-carboxamide
L062-0577 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-5-({[(4-ethylphenyl)carbamoyl]amino}methyl)-1,3,4-thiadiazole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L062-0577
N-(2H-1,3-benzodioxol-5-yl)-5-({[(4-ethylphenyl)carbamoyl]amino}methyl)-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

L062-0577

Molecular Formula

C20H19N5O4S (C20 H19 N5 O4 S)

Compound Name

N-(2H-1,3-benzodioxol-5-yl)-5-({[(4-ethylphenyl)carbamoyl]amino}methyl)-1,3,4-thiadiazole-2-carboxamide

IUPAC name

N-(2H-13-benzodioxol-5-yl)-5-({[(4-ethylphenyl)carbamoyl]amino}methyl)-134-thiadiazole-2-carboxamide

SMILES

CCc(cc1)ccc1NC(NCc1nnc(C(Nc(cc2)cc3c2OCO3)=O)s1)=O

InChI

InChI=1S/C20H19N5O4S/c1-2-12-3-5-13(6-4-12)23-20(27)21-10-17-24-25-19(30-17)18(26)22-14-7-8-15-16(9-14)29-11-28-15/h3-9H,2,10-11H2,1H3,(H,22,26)(H2,21,23,27)

InChI Key

DOKCSYVMZIFJHG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27228092

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.620

Distribution Coefficient, logD

3.619

Water Solubility, LogSw

-3.81

Polar Surface Area

98.070

Acid Dissociation Constant (pKa)

10.10

Base Dissociation Constant (pKb)

0.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

L062-0577 in Drug Discovery

Included in Screening Libraries

Immunological Library (6760 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with L062-0577 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L062-0577?
Check Price and Availability of L062-0577, 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 L062-0577 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L062-0577
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L062-0577
  • 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 L062-0577 available by request