1548-0723 Screening compound: 3-bromo-N-({N'-[(E)-[4-(methylsulfanyl)phenyl]methylidene]hydrazinecarbonyl}methyl)benzamide

1548-0723 Screening compound: 3-bromo-N-({N'-[(E)-[4-(methylsulfanyl)phenyl]methylidene]hydrazinecarbonyl}methyl)benzamide
1548-0723 Screening compound: 3-bromo-N-({N'-[(E)-[4-(methylsulfanyl)phenyl]methylidene]hydrazinecarbonyl}methyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1548-0723
3-bromo-N-({N'-[(E)-[4-(methylsulfanyl)phenyl]methylidene]hydrazinecarbonyl}methyl)benzamide

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

1548-0723

Molecular Formula

C17H16BrN3O2S (C17 H16 BrN3 O2 S)

Compound Name

3-bromo-N-({N'-[(E)-[4-(methylsulfanyl)phenyl]methylidene]hydrazinecarbonyl}methyl)benzamide

IUPAC name

3-bromo-N-({N'-[(E)-[4-(methylsulfanyl)phenyl]methylidene]hydrazinecarbonyl}methyl)benzamide

SMILES

CSc1ccc(/C=N/NC(CNC(c2cccc(Br)c2)=O)=O)cc1

InChI

InChI=1S/C17H16BrN3O2S/c1-24-15-7-5-12(6-8-15)10-20-21-16(22)11-19-17(23)13-3-2-4-14(18)9-13/h2-10H,11H2,1H3,(H,19,23)(H,21,22)

InChI Key

YMOKYHUMGKDCOA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01011191

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.3

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.993

Distribution Coefficient, logD

3.993

Water Solubility, LogSw

-4.13

Polar Surface Area

60.026

Acid Dissociation Constant (pKa)

10.94

Base Dissociation Constant (pKb)

-2.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

1548-0723 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1548-0723 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1548-0723?
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What is the minimum amount of 1548-0723 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1548-0723
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1548-0723
  • 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 1548-0723 available by request