1348-1013 Screening compound: (E)-1-(3-bromophenyl)-N-{2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]phenyl}methanimine

1348-1013 Screening compound: (E)-1-(3-bromophenyl)-N-{2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]phenyl}methanimine
1348-1013 Screening compound: (E)-1-(3-bromophenyl)-N-{2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]phenyl}methanimine alternative view

Chemical Structure Depiction of ChemDiv screening compound 1348-1013
(E)-1-(3-bromophenyl)-N-{2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]phenyl}methanimine

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

1348-1013

Molecular Formula

C18H16BrN3S (C18 H16 BrN3 S)

Compound Name

(E)-1-(3-bromophenyl)-N-{2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]phenyl}methanimine

IUPAC name

(E)-1-(3-bromophenyl)-N-{2-[(35-dimethyl-1H-pyrazol-4-yl)sulfanyl]phenyl}methanimine

SMILES

Cc([nH]nc1C)c1Sc(cccc1)c1/N=C/c1cccc(Br)c1

InChI

InChI=1S/C18H16BrN3S/c1-12-18(13(2)22-21-12)23-17-9-4-3-8-16(17)20-11-14-6-5-7-15(19)10-14/h3-11H,1-2H3,(H,21,22)

InChI Key

FFFOTQAXWCQGSE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01245473

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.32

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.054

Distribution Coefficient, logD

5.053

Water Solubility, LogSw

-4.68

Polar Surface Area

31.312

Acid Dissociation Constant (pKa)

14.66

Base Dissociation Constant (pKb)

4.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

1348-1013 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 1348-1013 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1348-1013?
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What is the minimum amount of 1348-1013 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1348-1013
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1348-1013
  • 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 1348-1013 available by request