1548-0690 Screening compound: N-({N'-[(E)-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylidene]hydrazinecarbonyl}methyl)thiophene-2-carboxamide

1548-0690 Screening compound: N-({N'-[(E)-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylidene]hydrazinecarbonyl}methyl)thiophene-2-carboxamide
1548-0690 Screening compound: N-({N'-[(E)-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylidene]hydrazinecarbonyl}methyl)thiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1548-0690
N-({N'-[(E)-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylidene]hydrazinecarbonyl}methyl)thiophene-2-carboxamide

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

1548-0690

Molecular Formula

C18H16ClN5O2S (C18 H16 ClN5 O2 S)

Compound Name

N-({N'-[(E)-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylidene]hydrazinecarbonyl}methyl)thiophene-2-carboxamide

IUPAC name

N-({N'-[(E)-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylidene]hydrazinecarbonyl}methyl)thiophene-2-carboxamide

SMILES

Cc(c(/C=N/NC(CNC(c1cccs1)=O)=O)c1Cl)nn1-c1ccccc1

InChI

InChI=1S/C18H16ClN5O2S/c1-12-14(17(19)24(23-12)13-6-3-2-4-7-13)10-21-22-16(25)11-20-18(26)15-8-5-9-27-15/h2-10H,11H2,1H3,(H,20,26)(H,22,25)

InChI Key

NWCJQHIUPADZNH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01838977

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.88

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.068

Distribution Coefficient, logD

3.061

Water Solubility, LogSw

-3.54

Polar Surface Area

75.844

Acid Dissociation Constant (pKa)

9.25

Base Dissociation Constant (pKb)

0.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

1548-0690 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 1548-0690 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1548-0690?
Check Price and Availability of 1548-0690, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 1548-0690 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1548-0690
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1548-0690
  • 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 1548-0690 available by request