Y508-2902 Screening compound: 2-{[5-(anilinomethyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'~1~-({2-[(3-bromobenzyl)oxy]phenyl}methylene)acetohydrazide

Y508-2902 Screening compound: 2-{[5-(anilinomethyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'~1~-({2-[(3-bromobenzyl)oxy]phenyl}methylene)acetohydrazide
Y508-2902 Screening compound: 2-{[5-(anilinomethyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'~1~-({2-[(3-bromobenzyl)oxy]phenyl}methylene)acetohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y508-2902
2-{[5-(anilinomethyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'~1~-({2-[(3-bromobenzyl)oxy]phenyl}methylene)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

Y508-2902

Molecular Formula

C31H27BrN6O2S (C31 H27 BrN6 O2 S)

Compound Name

2-{[5-(anilinomethyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'~1~-({2-[(3-bromobenzyl)oxy]phenyl}methylene)acetohydrazide

IUPAC name

n/a

SMILES

O=C(CSc1nnc(CNc2ccccc2)n1-c1ccccc1)NN=Cc(cccc1)c1OCc1cccc(Br)c1

InChI

InChI=1S/C31H27BrN6O2S/c32-25-12-9-10-23(18-25)21-40-28-17-8-7-11-24(28)19-34-36-30(39)22-41-31-37-35-29(20-33-26-13-3-1-4-14-26)38(31)27-15-5-2-6-16-27/h1-19,33H,20-22H2,(H,36,39)

InChI Key

ZVMHFSDIGISCIN-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

627.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.491

Distribution Coefficient, logD

6.491

Water Solubility, LogSw

-6.07

Polar Surface Area

78.883

Acid Dissociation Constant (pKa)

11.40

Base Dissociation Constant (pKb)

1.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.70

References: we are preparing a list of scientific research reports with Y508-2902 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y508-2902?
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What is the minimum amount of Y508-2902 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y508-2902
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y508-2902
  • 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 Y508-2902 available by request