3254-2457 Screening compound: N'-[(E)-[4-(dimethylamino)phenyl]methylidene]-2-{[4-phenyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide

3254-2457 Screening compound: N'-[(E)-[4-(dimethylamino)phenyl]methylidene]-2-{[4-phenyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide
3254-2457 Screening compound: N'-[(E)-[4-(dimethylamino)phenyl]methylidene]-2-{[4-phenyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3254-2457
N'-[(E)-[4-(dimethylamino)phenyl]methylidene]-2-{[4-phenyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}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

3254-2457

Molecular Formula

C28H30N6O4S (C28 H30 N6 O4 S)

Compound Name

N'-[(E)-[4-(dimethylamino)phenyl]methylidene]-2-{[4-phenyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide

IUPAC name

N'-[(E)-[4-(dimethylamino)phenyl]methylidene]-2-{[4-phenyl-5-(345-trimethoxyphenyl)-4H-124-triazol-3-yl]sulfanyl}acetohydrazide

SMILES

CN(C)c1ccc(/C=N/NC(CSc2nnc(-c(cc3OC)cc(OC)c3OC)n2-c2ccccc2)=O)cc1

InChI

InChI=1S/C28H30N6O4S/c1-33(2)21-13-11-19(12-14-21)17-29-30-25(35)18-39-28-32-31-27(34(28)22-9-7-6-8-10-22)20-15-23(36-3)26(38-5)24(16-20)37-4/h6-17H,18H2,1-5H3,(H,30,35)

InChI Key

UAPSHUGTTGHZEQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01583524

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

546.65

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.062

Distribution Coefficient, logD

4.062

Water Solubility, LogSw

-4.18

Polar Surface Area

85.869

Acid Dissociation Constant (pKa)

10.79

Base Dissociation Constant (pKb)

8.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

3254-2457 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 3254-2457 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3254-2457?
Check Price and Availability of 3254-2457, 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 3254-2457 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3254-2457
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3254-2457
  • 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 3254-2457 available by request