Y503-1849 Screening compound: N-[1-(2,6-dichlorobenzyl)-1H-pyrazol-3-yl]-N-[5-(1,5-dimethyl-4-nitro-1H-pyrazol-3-yl)-1,3,4-thiadiazol-2-yl]amine

Y503-1849 Screening compound: N-[1-(2,6-dichlorobenzyl)-1H-pyrazol-3-yl]-N-[5-(1,5-dimethyl-4-nitro-1H-pyrazol-3-yl)-1,3,4-thiadiazol-2-yl]amine
Y503-1849 Screening compound: N-[1-(2,6-dichlorobenzyl)-1H-pyrazol-3-yl]-N-[5-(1,5-dimethyl-4-nitro-1H-pyrazol-3-yl)-1,3,4-thiadiazol-2-yl]amine alternative view

Chemical Structure Depiction of ChemDiv screening compound Y503-1849
N-[1-(2,6-dichlorobenzyl)-1H-pyrazol-3-yl]-N-[5-(1,5-dimethyl-4-nitro-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

Y503-1849

Molecular Formula

C17H14Cl2N8O2S (C17 H14 Cl2 N8 O2 S)

Compound Name

N-[1-(2,6-dichlorobenzyl)-1H-pyrazol-3-yl]-N-[5-(1,5-dimethyl-4-nitro-1H-pyrazol-3-yl)-1,3,4-thiadiazol-2-yl]amine

IUPAC name

N-{1-[(26-dichlorophenyl)methyl]-1H-pyrazol-3-yl}-5-(15-dimethyl-4-nitro-1H-pyrazol-3-yl)-134-thiadiazol-2-amine

SMILES

Cc(n(C)nc1-c2nnc(Nc3nn(Cc(c(Cl)ccc4)c4Cl)cc3)s2)c1[N+]([O-])=O

InChI

InChI=1S/C17H14Cl2N8O2S/c1-9-15(27(28)29)14(24-25(9)2)16-21-22-17(30-16)20-13-6-7-26(23-13)8-10-11(18)4-3-5-12(10)19/h3-7H,8H2,1-2H3,(H,20,22,23)

InChI Key

VXFJGZVJHYCRGS-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.32

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.064

Distribution Coefficient, logD

4.064

Water Solubility, LogSw

-4.30

Polar Surface Area

95.193

Acid Dissociation Constant (pKa)

16.44

Base Dissociation Constant (pKb)

3.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.65

References: we are preparing a list of scientific research reports with Y503-1849 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y503-1849?
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What is the minimum amount of Y503-1849 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y503-1849
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y503-1849
  • 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 Y503-1849 available by request