Y508-8923 Screening compound: N-[3-(butylsulfanyl)-5-(difluoromethyl)-4H-1,2,4-triazol-4-yl]-N-[(E)-1-(6-nitro-1,3-benzodioxol-5-yl)methylidene]amine

Y508-8923 Screening compound: N-[3-(butylsulfanyl)-5-(difluoromethyl)-4H-1,2,4-triazol-4-yl]-N-[(E)-1-(6-nitro-1,3-benzodioxol-5-yl)methylidene]amine
Y508-8923 Screening compound: N-[3-(butylsulfanyl)-5-(difluoromethyl)-4H-1,2,4-triazol-4-yl]-N-[(E)-1-(6-nitro-1,3-benzodioxol-5-yl)methylidene]amine alternative view

Chemical Structure Depiction of ChemDiv screening compound Y508-8923
N-[3-(butylsulfanyl)-5-(difluoromethyl)-4H-1,2,4-triazol-4-yl]-N-[(E)-1-(6-nitro-1,3-benzodioxol-5-yl)methylidene]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

Y508-8923

Molecular Formula

C15H15F2N5O4S (C15 H15 F2 N5 O4 S)

Compound Name

N-[3-(butylsulfanyl)-5-(difluoromethyl)-4H-1,2,4-triazol-4-yl]-N-[(E)-1-(6-nitro-1,3-benzodioxol-5-yl)methylidene]amine

IUPAC name

n/a

SMILES

CCCCSc1nnc(C(F)F)n1/N=C/c(cc1OCOc1c1)c1[N+]([O-])=O

InChI

InChI=1S/C15H15F2N5O4S/c1-2-3-4-27-15-20-19-14(13(16)17)21(15)18-7-9-5-11-12(26-8-25-11)6-10(9)22(23)24/h5-7,13H,2-4,8H2,1H3

InChI Key

XZNVLYVDDPRNCT-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.38

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.324

Distribution Coefficient, logD

3.324

Water Solubility, LogSw

-3.79

Polar Surface Area

86.073

Acid Dissociation Constant (pKa)

25.38

Base Dissociation Constant (pKb)

2.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

References: we are preparing a list of scientific research reports with Y508-8923 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y508-8923?
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What is the minimum amount of Y508-8923 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y508-8923
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y508-8923
  • 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 Y508-8923 available by request