4891-5044 Screening compound: N'-[(E)-[1-(4-bromophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene]methoxycarbohydrazide

4891-5044 Screening compound: N'-[(E)-[1-(4-bromophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene]methoxycarbohydrazide
4891-5044 Screening compound: N'-[(E)-[1-(4-bromophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene]methoxycarbohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4891-5044
N'-[(E)-[1-(4-bromophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene]methoxycarbohydrazide

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

4891-5044

Molecular Formula

C15H16BrN3O2 (C15 H16 BrN3 O2)

Compound Name

N'-[(E)-[1-(4-bromophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene]methoxycarbohydrazide

IUPAC name

N'-[(E)-[1-(4-bromophenyl)-25-dimethyl-1H-pyrrol-3-yl]methylidene]methoxycarbohydrazide

SMILES

Cc1cc(/C=N/NC(OC)=O)c(C)n1-c(cc1)ccc1Br

InChI

InChI=1S/C15H16BrN3O2/c1-10-8-12(9-17-18-15(20)21-3)11(2)19(10)14-6-4-13(16)5-7-14/h4-9H,1-3H3,(H,18,20)

InChI Key

WIYLXLNUBWUENR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02990270

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.22

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.727

Distribution Coefficient, logD

3.725

Water Solubility, LogSw

-4.04

Polar Surface Area

46.992

Acid Dissociation Constant (pKa)

9.80

Base Dissociation Constant (pKb)

5.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

4891-5044 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4891-5044 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4891-5044?
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What is the minimum amount of 4891-5044 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4891-5044
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4891-5044
  • 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 4891-5044 available by request