L253-0403 Screening compound: 5-(2-{[(4-chlorophenyl)methyl]carbamoyl}ethyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-1,3,4-thiadiazole-2-carboxamide

L253-0403 Screening compound: 5-(2-{[(4-chlorophenyl)methyl]carbamoyl}ethyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-1,3,4-thiadiazole-2-carboxamide
L253-0403 Screening compound: 5-(2-{[(4-chlorophenyl)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 L253-0403
5-(2-{[(4-chlorophenyl)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

L253-0403

Molecular Formula

C21H17ClN6O2S2 (C21 H17 ClN6 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

O=C(CCc1nnc(C(Nc2nnc(-c3ccccc3)s2)=O)s1)NCc(cc1)ccc1Cl

InChI

InChI=1S/C21H17ClN6O2S2/c22-15-8-6-13(7-9-15)12-23-16(29)10-11-17-25-27-20(31-17)18(30)24-21-28-26-19(32-21)14-4-2-1-3-5-14/h1-9H,10-12H2,(H,23,29)(H,24,28,30)

InChI Key

MUJBJJSSNARKFE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15121004

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

484.99

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.917

Distribution Coefficient, logD

3.914

Water Solubility, LogSw

-4.62

Polar Surface Area

94.802

Acid Dissociation Constant (pKa)

9.50

Base Dissociation Constant (pKb)

-2.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

References: we are preparing a list of scientific research reports with L253-0403 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L253-0403?
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What is the minimum amount of L253-0403 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L253-0403
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L253-0403
  • 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 L253-0403 available by request