L253-0421 Screening compound: 5-(2-{[(4-methoxyphenyl)methyl]carbamoyl}ethyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-1,3,4-thiadiazole-2-carboxamide

L253-0421 Screening compound: 5-(2-{[(4-methoxyphenyl)methyl]carbamoyl}ethyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-1,3,4-thiadiazole-2-carboxamide
L253-0421 Screening compound: 5-(2-{[(4-methoxyphenyl)methyl]carbamoyl}ethyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-1,3,4-thiadiazole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L253-0421
5-(2-{[(4-methoxyphenyl)methyl]carbamoyl}ethyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-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

L253-0421

Molecular Formula

C22H20N6O3S2 (C22 H20 N6 O3 S2)

Compound Name

5-(2-{[(4-methoxyphenyl)methyl]carbamoyl}ethyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-1,3,4-thiadiazole-2-carboxamide

IUPAC name

5-(2-{[(4-methoxyphenyl)methyl]carbamoyl}ethyl)-N-(5-phenyl-134-thiadiazol-2-yl)-134-thiadiazole-2-carboxamide

SMILES

COc1ccc(CNC(CCc2nnc(C(Nc3nnc(-c4ccccc4)s3)=O)s2)=O)cc1

InChI

InChI=1S/C22H20N6O3S2/c1-31-16-9-7-14(8-10-16)13-23-17(29)11-12-18-25-27-21(32-18)19(30)24-22-28-26-20(33-22)15-5-3-2-4-6-15/h2-10H,11-13H2,1H3,(H,23,29)(H,24,28,30)

InChI Key

RCCRANASLKSPGG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15121005

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

480.57

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.305

Distribution Coefficient, logD

3.301

Water Solubility, LogSw

-3.62

Polar Surface Area

102.346

Acid Dissociation Constant (pKa)

9.50

Base Dissociation Constant (pKb)

-1.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

L253-0421 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 L253-0421 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L253-0421?
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What is the minimum amount of L253-0421 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L253-0421
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L253-0421
  • 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 L253-0421 available by request