Y508-6440 Screening compound: 2-({4-allyl-5-[(4-chloroanilino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N'~1~-[(E)-1-(5-nitro-2-thienyl)methylidene]propanohydrazide

Y508-6440 Screening compound: 2-({4-allyl-5-[(4-chloroanilino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N'~1~-[(E)-1-(5-nitro-2-thienyl)methylidene]propanohydrazide
Y508-6440 Screening compound: 2-({4-allyl-5-[(4-chloroanilino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N'~1~-[(E)-1-(5-nitro-2-thienyl)methylidene]propanohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y508-6440
2-({4-allyl-5-[(4-chloroanilino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N'~1~-[(E)-1-(5-nitro-2-thienyl)methylidene]propanohydrazide

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

Y508-6440

Molecular Formula

C20H20ClN7O3S2 (C20 H20 ClN7 O3 S2)

Compound Name

2-({4-allyl-5-[(4-chloroanilino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N'~1~-[(E)-1-(5-nitro-2-thienyl)methylidene]propanohydrazide

IUPAC name

n/a

SMILES

CC(C(N/N=C/c1ccc([N+]([O-])=O)s1)=O)Sc1nnc(CNc(cc2)ccc2Cl)n1CC=C

InChI

InChI=1S/C20H20ClN7O3S2/c1-3-10-27-17(12-22-15-6-4-14(21)5-7-15)24-26-20(27)32-13(2)19(29)25-23-11-16-8-9-18(33-16)28(30)31/h3-9,11,13,22H,1,10,12H2,2H3,(H,25,29)/t13-/m0/s1

InChI Key

YBVKYCRCQKQMPU-ZDUSSCGKSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

506.01

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.782

Distribution Coefficient, logD

4.782

Water Solubility, LogSw

-4.89

Polar Surface Area

106.040

Acid Dissociation Constant (pKa)

11.36

Base Dissociation Constant (pKb)

0.70

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with Y508-6440 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y508-6440?
Check Price and Availability of Y508-6440, 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 Y508-6440 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y508-6440
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y508-6440
  • 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 Y508-6440 available by request