Y502-9823 Screening compound: N-[1-(2-chloro-6-fluorobenzyl)-1H-pyrazol-3-yl]-N-[5-(5-methyl-1H-pyrazol-3-yl)-1,3,4-thiadiazol-2-yl]amine

Y502-9823 Screening compound: N-[1-(2-chloro-6-fluorobenzyl)-1H-pyrazol-3-yl]-N-[5-(5-methyl-1H-pyrazol-3-yl)-1,3,4-thiadiazol-2-yl]amine
Y502-9823 Screening compound: N-[1-(2-chloro-6-fluorobenzyl)-1H-pyrazol-3-yl]-N-[5-(5-methyl-1H-pyrazol-3-yl)-1,3,4-thiadiazol-2-yl]amine alternative view

Chemical Structure Depiction of ChemDiv screening compound Y502-9823
N-[1-(2-chloro-6-fluorobenzyl)-1H-pyrazol-3-yl]-N-[5-(5-methyl-1H-pyrazol-3-yl)-1,3,4-thiadiazol-2-yl]amine

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

Y502-9823

Molecular Formula

C16H13ClFN7S (C16 H13 ClFN7 S)

Compound Name

N-[1-(2-chloro-6-fluorobenzyl)-1H-pyrazol-3-yl]-N-[5-(5-methyl-1H-pyrazol-3-yl)-1,3,4-thiadiazol-2-yl]amine

IUPAC name

N-{1-[(2-chloro-6-fluorophenyl)methyl]-1H-pyrazol-3-yl}-5-(5-methyl-1H-pyrazol-3-yl)-134-thiadiazol-2-amine

SMILES

Cc1cc(-c2nnc(Nc3nn(Cc(c(F)ccc4)c4Cl)cc3)s2)n[nH]1

InChI

InChI=1S/C16H13ClFN7S/c1-9-7-13(21-20-9)15-22-23-16(26-15)19-14-5-6-25(24-14)8-10-11(17)3-2-4-12(10)18/h2-7H,8H2,1H3,(H,20,21)(H,19,23,24)

InChI Key

IFPFJPLMEHMMLK-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.84

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.995

Distribution Coefficient, logD

3.995

Water Solubility, LogSw

-4.34

Polar Surface Area

69.948

Acid Dissociation Constant (pKa)

14.61

Base Dissociation Constant (pKb)

2.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

References: we are preparing a list of scientific research reports with Y502-9823 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y502-9823?
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What is the minimum amount of Y502-9823 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y502-9823
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y502-9823
  • 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 Y502-9823 available by request