Y509-3360 Screening compound: 5-[(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]-N~2~-(4-methyl-1,3-thiazol-2-yl)-2-furamide

Y509-3360 Screening compound: 5-[(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]-N~2~-(4-methyl-1,3-thiazol-2-yl)-2-furamide
Y509-3360 Screening compound: 5-[(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]-N~2~-(4-methyl-1,3-thiazol-2-yl)-2-furamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y509-3360
5-[(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]-N~2~-(4-methyl-1,3-thiazol-2-yl)-2-furamide

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

Y509-3360

Molecular Formula

C14H12ClN5O4S (C14 H12 ClN5 O4 S)

Compound Name

5-[(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]-N~2~-(4-methyl-1,3-thiazol-2-yl)-2-furamide

IUPAC name

n/a

SMILES

Cc1csc(NC(c2ccc(Cn(c(C)c3Cl)nc3[N+]([O-])=O)o2)=O)n1

InChI

InChI=1S/C14H12ClN5O4S/c1-7-6-25-14(16-7)17-13(21)10-4-3-9(24-10)5-19-8(2)11(15)12(18-19)20(22)23/h3-4,6H,5H2,1-2H3,(H,16,17,21)

InChI Key

BVRTYSXZHJUUGH-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.8

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.819

Distribution Coefficient, logD

2.767

Water Solubility, LogSw

-3.88

Polar Surface Area

88.043

Acid Dissociation Constant (pKa)

8.29

Base Dissociation Constant (pKb)

1.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

References: we are preparing a list of scientific research reports with Y509-3360 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y509-3360?
Check Price and Availability of Y509-3360, 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 Y509-3360 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y509-3360
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y509-3360
  • 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 Y509-3360 available by request