3857-0778 Screening compound: 2-(1H-1,2,3-benzotriazol-1-yl)-N'-[(E)-(2,4-dihydroxyphenyl)methylidene]propanehydrazide

3857-0778 Screening compound: 2-(1H-1,2,3-benzotriazol-1-yl)-N'-[(E)-(2,4-dihydroxyphenyl)methylidene]propanehydrazide
3857-0778 Screening compound: 2-(1H-1,2,3-benzotriazol-1-yl)-N'-[(E)-(2,4-dihydroxyphenyl)methylidene]propanehydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3857-0778
2-(1H-1,2,3-benzotriazol-1-yl)-N'-[(E)-(2,4-dihydroxyphenyl)methylidene]propanehydrazide

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

3857-0778

Molecular Formula

C16H15N5O3 (C16 H15 N5 O3)

Compound Name

2-(1H-1,2,3-benzotriazol-1-yl)-N'-[(E)-(2,4-dihydroxyphenyl)methylidene]propanehydrazide

IUPAC name

2-(1H-123-benzotriazol-1-yl)-N'-[(E)-(24-dihydroxyphenyl)methylidene]propanehydrazide

SMILES

CC(C(N/N=C/c(ccc(O)c1)c1O)=O)n1nnc2c1cccc2

InChI

InChI=1S/C16H15N5O3/c1-10(21-14-5-3-2-4-13(14)18-20-21)16(24)19-17-9-11-6-7-12(22)8-15(11)23/h2-10,22-23H,1H3,(H,19,24)/t10-/m0/s1

InChI Key

FOJJATDEHDNQBQ-JTQLQIEISA-N

MDL Number (MFCD)

MFCD01206746

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

325.33

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.086

Distribution Coefficient, logD

2.084

Water Solubility, LogSw

-2.67

Polar Surface Area

95.506

Acid Dissociation Constant (pKa)

9.64

Base Dissociation Constant (pKb)

-0.50

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

12.50

3857-0778 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with 3857-0778 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3857-0778?
Check Price and Availability of 3857-0778, 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 3857-0778 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3857-0778
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3857-0778
  • 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 3857-0778 available by request