C120-0047 Screening compound: N-(3,4-dichlorophenyl)-3-[(1E)-2-{[2-(3,4-diethoxyphenyl)ethyl]amino}prop-1-en-1-yl]-1,2,4-thiadiazol-5-amine

C120-0047 Screening compound: N-(3,4-dichlorophenyl)-3-[(1E)-2-{[2-(3,4-diethoxyphenyl)ethyl]amino}prop-1-en-1-yl]-1,2,4-thiadiazol-5-amine
C120-0047 Screening compound: N-(3,4-dichlorophenyl)-3-[(1E)-2-{[2-(3,4-diethoxyphenyl)ethyl]amino}prop-1-en-1-yl]-1,2,4-thiadiazol-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound C120-0047
N-(3,4-dichlorophenyl)-3-[(1E)-2-{[2-(3,4-diethoxyphenyl)ethyl]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

C120-0047

Molecular Formula

C23H26Cl2N4O2S (C23 H26 Cl2 N4 O2 S)

Compound Name

N-(3,4-dichlorophenyl)-3-[(1E)-2-{[2-(3,4-diethoxyphenyl)ethyl]amino}prop-1-en-1-yl]-1,2,4-thiadiazol-5-amine

IUPAC name

N-(34-dichlorophenyl)-3-[(1E)-2-{[2-(34-diethoxyphenyl)ethyl]amino}prop-1-en-1-yl]-124-thiadiazol-5-amine

SMILES

CCOc(ccc(CCN/C(/C)=C/c1nsc(Nc(cc2)cc(Cl)c2Cl)n1)c1)c1OCC

InChI

InChI=1S/C23H26Cl2N4O2S/c1-4-30-20-9-6-16(13-21(20)31-5-2)10-11-26-15(3)12-22-28-23(32-29-22)27-17-7-8-18(24)19(25)14-17/h6-9,12-14,26H,4-5,10-11H2,1-3H3,(H,27,28,29)

InChI Key

TTWHJURBPDIZFP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06166003

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.46

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.257

Distribution Coefficient, logD

6.254

Water Solubility, LogSw

-6.25

Polar Surface Area

54.141

Acid Dissociation Constant (pKa)

14.55

Base Dissociation Constant (pKb)

6.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

C120-0047 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C120-0047 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C120-0047?
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What is the minimum amount of C120-0047 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C120-0047
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C120-0047
  • 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 C120-0047 available by request