1348-1138 Screening compound: 4-[(E)-({2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]phenyl}imino)methyl]-3-methyl-1-phenyl-1H-pyrazol-5-ol

1348-1138 Screening compound: 4-[(E)-({2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]phenyl}imino)methyl]-3-methyl-1-phenyl-1H-pyrazol-5-ol
1348-1138 Screening compound: 4-[(E)-({2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]phenyl}imino)methyl]-3-methyl-1-phenyl-1H-pyrazol-5-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 1348-1138
4-[(E)-({2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]phenyl}imino)methyl]-3-methyl-1-phenyl-1H-pyrazol-5-ol

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

1348-1138

Molecular Formula

C22H21N5OS (C22 H21 N5 OS)

Compound Name

4-[(E)-({2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]phenyl}imino)methyl]-3-methyl-1-phenyl-1H-pyrazol-5-ol

IUPAC name

4-[(E)-({2-[(35-dimethyl-1H-pyrazol-4-yl)sulfanyl]phenyl}imino)methyl]-3-methyl-1-phenyl-1H-pyrazol-5-ol

SMILES

Cc([nH]nc1C)c1Sc(cccc1)c1/N=C/c(c(C)nn1-c2ccccc2)c1O

InChI

InChI=1S/C22H21N5OS/c1-14-18(22(28)27(26-14)17-9-5-4-6-10-17)13-23-19-11-7-8-12-20(19)29-21-15(2)24-25-16(21)3/h4-13,28H,1-3H3,(H,24,25)

InChI Key

JOKSKKBDMGSPCO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01245483

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.694

Distribution Coefficient, logD

1.816

Water Solubility, LogSw

-3.99

Polar Surface Area

61.161

Acid Dissociation Constant (pKa)

5.53

Base Dissociation Constant (pKb)

5.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

1348-1138 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 1348-1138 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 1348-1138 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1348-1138
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1348-1138
  • 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 1348-1138 available by request