0318-0029 Screening compound: N-(2,2,2-trichloro-1-{[(4-fluorophenyl)carbamothioyl]amino}ethyl)benzamide

0318-0029 Screening compound: N-(2,2,2-trichloro-1-{[(4-fluorophenyl)carbamothioyl]amino}ethyl)benzamide
0318-0029 Screening compound: N-(2,2,2-trichloro-1-{[(4-fluorophenyl)carbamothioyl]amino}ethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0318-0029
N-(2,2,2-trichloro-1-{[(4-fluorophenyl)carbamothioyl]amino}ethyl)benzamide

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

0318-0029

Molecular Formula

C16H13Cl3FN3OS (C16 H13 Cl3 FN3 OS)

Compound Name

N-(2,2,2-trichloro-1-{[(4-fluorophenyl)carbamothioyl]amino}ethyl)benzamide

IUPAC name

N-(222-trichloro-1-{[(4-fluorophenyl)carbamothioyl]amino}ethyl)benzamide

SMILES

O=C(c1ccccc1)NC(C(Cl)(Cl)Cl)NC(Nc(cc1)ccc1F)=S

InChI

InChI=1S/C16H13Cl3FN3OS/c17-16(18,19)14(22-13(24)10-4-2-1-3-5-10)23-15(25)21-12-8-6-11(20)7-9-12/h1-9,14H,(H,22,24)(H2,21,23,25)/t14-/m0/s1

InChI Key

XNBFVVLQMNQIGC-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD00225859

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.72

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.084

Distribution Coefficient, logD

3.296

Water Solubility, LogSw

-4.49

Polar Surface Area

43.360

Acid Dissociation Constant (pKa)

6.69

Base Dissociation Constant (pKb)

-1.96

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

12.50

0318-0029 in Drug Discovery

Included in Screening Libraries

Autophagy-Targeted Library (4564 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 0318-0029 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0318-0029?
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What is the minimum amount of 0318-0029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0318-0029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0318-0029
  • 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 0318-0029 available by request