3181-0110 Screening compound: 3-bromo-N'-[(1E)-1-(4-hydroxy-6-methyl-2-oxo-2H-pyran-3-yl)ethylidene]benzohydrazide

3181-0110 Screening compound: 3-bromo-N'-[(1E)-1-(4-hydroxy-6-methyl-2-oxo-2H-pyran-3-yl)ethylidene]benzohydrazide
3181-0110 Screening compound: 3-bromo-N'-[(1E)-1-(4-hydroxy-6-methyl-2-oxo-2H-pyran-3-yl)ethylidene]benzohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3181-0110
3-bromo-N'-[(1E)-1-(4-hydroxy-6-methyl-2-oxo-2H-pyran-3-yl)ethylidene]benzohydrazide

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

3181-0110

Molecular Formula

C15H13BrN2O4 (C15 H13 BrN2 O4)

Compound Name

3-bromo-N'-[(1E)-1-(4-hydroxy-6-methyl-2-oxo-2H-pyran-3-yl)ethylidene]benzohydrazide

IUPAC name

3-bromo-N'-[(1E)-1-(4-hydroxy-6-methyl-2-oxo-2H-pyran-3-yl)ethylidene]benzohydrazide

SMILES

C/C(/C(C(OC(C)=C1)=O)=C1O)=N\NC(c1cccc(Br)c1)=O

InChI

InChI=1S/C15H13BrN2O4/c1-8-6-12(19)13(15(21)22-8)9(2)17-18-14(20)10-4-3-5-11(16)7-10/h3-7,19H,1-2H3,(H,18,20)

InChI Key

YRMFBGLDNKRUMN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00520846

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.18

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.501

Distribution Coefficient, logD

-1.405

Water Solubility, LogSw

-2.74

Polar Surface Area

72.746

Acid Dissociation Constant (pKa)

3.49

Base Dissociation Constant (pKb)

-4.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

3181-0110 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3181-0110 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3181-0110?
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What is the minimum amount of 3181-0110 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3181-0110
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3181-0110
  • 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 3181-0110 available by request