6208-0160 Screening compound: (4E)-1-(1H-1,3-benzodiazol-2-yl)-4-{[(4-fluorophenyl)amino]methylidene}-3-methyl-4,5-dihydro-1H-pyrazol-5-one

6208-0160 Screening compound: (4E)-1-(1H-1,3-benzodiazol-2-yl)-4-{[(4-fluorophenyl)amino]methylidene}-3-methyl-4,5-dihydro-1H-pyrazol-5-one
6208-0160 Screening compound: (4E)-1-(1H-1,3-benzodiazol-2-yl)-4-{[(4-fluorophenyl)amino]methylidene}-3-methyl-4,5-dihydro-1H-pyrazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 6208-0160
(4E)-1-(1H-1,3-benzodiazol-2-yl)-4-{[(4-fluorophenyl)amino]methylidene}-3-methyl-4,5-dihydro-1H-pyrazol-5-one

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

6208-0160

Molecular Formula

C18H14FN5O (C18 H14 FN5 O)

Compound Name

(4E)-1-(1H-1,3-benzodiazol-2-yl)-4-{[(4-fluorophenyl)amino]methylidene}-3-methyl-4,5-dihydro-1H-pyrazol-5-one

IUPAC name

(4E)-1-(1H-13-benzodiazol-2-yl)-4-{[(4-fluorophenyl)amino]methylidene}-3-methyl-45-dihydro-1H-pyrazol-5-one

SMILES

CC(/C(/C1=O)=C\Nc(cc2)ccc2F)=NN1c1nc(cccc2)c2[nH]1

InChI

InChI=1S/C18H14FN5O/c1-11-14(10-20-13-8-6-12(19)7-9-13)17(25)24(23-11)18-21-15-4-2-3-5-16(15)22-18/h2-10,20H,1H3,(H,21,22)

InChI Key

UUPBXDYIDJHFDJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05022512

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.34

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.949

Distribution Coefficient, logD

2.948

Water Solubility, LogSw

-3.31

Polar Surface Area

55.406

Acid Dissociation Constant (pKa)

10.11

Base Dissociation Constant (pKb)

4.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

6208-0160 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 6208-0160 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6208-0160?
Check Price and Availability of 6208-0160, 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 6208-0160 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6208-0160
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6208-0160
  • 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 6208-0160 available by request