C120-0057 Screening compound: N-(4-fluorophenyl)-3-[(1E)-2-{[(4-methoxyphenyl)methyl]amino}prop-1-en-1-yl]-1,2,4-thiadiazol-5-amine

C120-0057 Screening compound: N-(4-fluorophenyl)-3-[(1E)-2-{[(4-methoxyphenyl)methyl]amino}prop-1-en-1-yl]-1,2,4-thiadiazol-5-amine
C120-0057 Screening compound: N-(4-fluorophenyl)-3-[(1E)-2-{[(4-methoxyphenyl)methyl]amino}prop-1-en-1-yl]-1,2,4-thiadiazol-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound C120-0057
N-(4-fluorophenyl)-3-[(1E)-2-{[(4-methoxyphenyl)methyl]amino}prop-1-en-1-yl]-1,2,4-thiadiazol-5-amine

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

C120-0057

Molecular Formula

C19H19FN4OS (C19 H19 FN4 OS)

Compound Name

N-(4-fluorophenyl)-3-[(1E)-2-{[(4-methoxyphenyl)methyl]amino}prop-1-en-1-yl]-1,2,4-thiadiazol-5-amine

IUPAC name

N-(4-fluorophenyl)-3-[(1E)-2-{[(4-methoxyphenyl)methyl]amino}prop-1-en-1-yl]-124-thiadiazol-5-amine

SMILES

C/C(/NCc(cc1)ccc1OC)=C\c1nsc(Nc(cc2)ccc2F)n1

InChI

InChI=1S/C19H19FN4OS/c1-13(21-12-14-3-9-17(25-2)10-4-14)11-18-23-19(26-24-18)22-16-7-5-15(20)6-8-16/h3-11,21H,12H2,1-2H3,(H,22,23,24)

InChI Key

IPWSKEFUHPYPNO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04221661

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.45

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.621

Distribution Coefficient, logD

4.621

Water Solubility, LogSw

-4.43

Polar Surface Area

47.423

Acid Dissociation Constant (pKa)

14.30

Base Dissociation Constant (pKb)

6.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

C120-0057 in Drug Discovery

Included in Screening Libraries

Immunological Library (6760 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with C120-0057 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C120-0057?
Check Price and Availability of C120-0057, 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 C120-0057 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C120-0057
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C120-0057
  • 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 C120-0057 available by request