1309-1278 Screening compound: (2E)-3-phenyl-N-(2,2,2-trichloro-1-{[(quinolin-8-yl)carbamothioyl]amino}ethyl)prop-2-enamide

1309-1278 Screening compound: (2E)-3-phenyl-N-(2,2,2-trichloro-1-{[(quinolin-8-yl)carbamothioyl]amino}ethyl)prop-2-enamide
1309-1278 Screening compound: (2E)-3-phenyl-N-(2,2,2-trichloro-1-{[(quinolin-8-yl)carbamothioyl]amino}ethyl)prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1309-1278
(2E)-3-phenyl-N-(2,2,2-trichloro-1-{[(quinolin-8-yl)carbamothioyl]amino}ethyl)prop-2-enamide

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

1309-1278

Molecular Formula

C21H17Cl3N4OS (C21 H17 Cl3 N4 OS)

Compound Name

(2E)-3-phenyl-N-(2,2,2-trichloro-1-{[(quinolin-8-yl)carbamothioyl]amino}ethyl)prop-2-enamide

IUPAC name

(2E)-3-phenyl-N-(222-trichloro-1-{[(quinolin-8-yl)carbamothioyl]amino}ethyl)prop-2-enamide

SMILES

O=C(/C=C/c1ccccc1)NC(C(Cl)(Cl)Cl)NC(Nc1cccc2cccnc12)=S

InChI

InChI=1S/C21H17Cl3N4OS/c22-21(23,24)19(27-17(29)12-11-14-6-2-1-3-7-14)28-20(30)26-16-10-4-8-15-9-5-13-25-18(15)16/h1-13,19H,(H,27,29)(H2,26,28,30)/t19-/m0/s1

InChI Key

LCOIAYJMPKXARU-IBGZPJMESA-N

MDL Number (MFCD)

MFCD00548612

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.82

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.258

Distribution Coefficient, logD

5.186

Water Solubility, LogSw

-5.98

Polar Surface Area

51.982

Acid Dissociation Constant (pKa)

8.15

Base Dissociation Constant (pKb)

4.60

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

9.50

1309-1278 in Drug Discovery

Included in Screening Libraries

Autophagy-Targeted Library (4564 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system

References: we are preparing a list of scientific research reports with 1309-1278 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1309-1278?
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What is the minimum amount of 1309-1278 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1309-1278
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1309-1278
  • 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 1309-1278 available by request