C120-0052 Screening compound: N-(3,4-dichlorophenyl)-3-[(1E)-2-{[(3,4,5-trimethoxyphenyl)methyl]amino}prop-1-en-1-yl]-1,2,4-thiadiazol-5-amine

C120-0052 Screening compound: N-(3,4-dichlorophenyl)-3-[(1E)-2-{[(3,4,5-trimethoxyphenyl)methyl]amino}prop-1-en-1-yl]-1,2,4-thiadiazol-5-amine
C120-0052 Screening compound: N-(3,4-dichlorophenyl)-3-[(1E)-2-{[(3,4,5-trimethoxyphenyl)methyl]amino}prop-1-en-1-yl]-1,2,4-thiadiazol-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound C120-0052
N-(3,4-dichlorophenyl)-3-[(1E)-2-{[(3,4,5-trimethoxyphenyl)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

C120-0052

Molecular Formula

C21H22Cl2N4O3S (C21 H22 Cl2 N4 O3 S)

Compound Name

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

IUPAC name

N-(34-dichlorophenyl)-3-[(1E)-2-{[(345-trimethoxyphenyl)methyl]amino}prop-1-en-1-yl]-124-thiadiazol-5-amine

SMILES

C/C(/NCc(cc1OC)cc(OC)c1OC)=C\c1nsc(Nc(cc2)cc(Cl)c2Cl)n1

InChI

InChI=1S/C21H22Cl2N4O3S/c1-12(24-11-13-8-17(28-2)20(30-4)18(9-13)29-3)7-19-26-21(31-27-19)25-14-5-6-15(22)16(23)10-14/h5-10,24H,11H2,1-4H3,(H,25,26,27)

InChI Key

ONKUZUGBFOIFEV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06165978

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.865

Distribution Coefficient, logD

5.832

Water Solubility, LogSw

-6.10

Polar Surface Area

62.857

Acid Dissociation Constant (pKa)

14.55

Base Dissociation Constant (pKb)

6.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

C120-0052 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Antibacterial Compounds Library (13827 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with C120-0052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C120-0052?
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What is the minimum amount of C120-0052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C120-0052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C120-0052
  • 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 C120-0052 available by request