Y508-3176 Screening compound: 2-{[4-allyl-5-(1H-1,2,3-benzotriazol-1-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'~1~-[(E)-1-(5-nitro-2-thienyl)methylidene]acetohydrazide

Y508-3176 Screening compound: 2-{[4-allyl-5-(1H-1,2,3-benzotriazol-1-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'~1~-[(E)-1-(5-nitro-2-thienyl)methylidene]acetohydrazide
Y508-3176 Screening compound: 2-{[4-allyl-5-(1H-1,2,3-benzotriazol-1-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'~1~-[(E)-1-(5-nitro-2-thienyl)methylidene]acetohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y508-3176
2-{[4-allyl-5-(1H-1,2,3-benzotriazol-1-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'~1~-[(E)-1-(5-nitro-2-thienyl)methylidene]acetohydrazide

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

Y508-3176

Molecular Formula

C19H17N9O3S2 (C19 H17 N9 O3 S2)

Compound Name

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

IUPAC name

n/a

SMILES

C=CCn1c(SCC(N/N=C/c2ccc([N+]([O-])=O)s2)=O)nnc1Cn1nnc2c1cccc2

InChI

InChI=1S/C19H17N9O3S2/c1-2-9-26-16(11-27-15-6-4-3-5-14(15)21-25-27)22-24-19(26)32-12-17(29)23-20-10-13-7-8-18(33-13)28(30)31/h2-8,10H,1,9,11-12H2,(H,23,29)

InChI Key

UAGAALKUOMJSBR-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.53

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

2.515

Distribution Coefficient, logD

2.512

Water Solubility, LogSw

-2.60

Polar Surface Area

121.018

Acid Dissociation Constant (pKa)

11.61

Base Dissociation Constant (pKb)

5.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

References: we are preparing a list of scientific research reports with Y508-3176 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y508-3176?
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What is the minimum amount of Y508-3176 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y508-3176
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y508-3176
  • 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 Y508-3176 available by request