1501-0094 Screening compound: 2-phenyl-N-(2,2,2-trichloro-1-{[(4-ethoxyphenyl)carbamothioyl]amino}ethyl)acetamide

1501-0094 Screening compound: 2-phenyl-N-(2,2,2-trichloro-1-{[(4-ethoxyphenyl)carbamothioyl]amino}ethyl)acetamide
1501-0094 Screening compound: 2-phenyl-N-(2,2,2-trichloro-1-{[(4-ethoxyphenyl)carbamothioyl]amino}ethyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1501-0094
2-phenyl-N-(2,2,2-trichloro-1-{[(4-ethoxyphenyl)carbamothioyl]amino}ethyl)acetamide

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

1501-0094

Molecular Formula

C19H20Cl3N3O2S (C19 H20 Cl3 N3 O2 S)

Compound Name

2-phenyl-N-(2,2,2-trichloro-1-{[(4-ethoxyphenyl)carbamothioyl]amino}ethyl)acetamide

IUPAC name

2-phenyl-N-(222-trichloro-1-{[(4-ethoxyphenyl)carbamothioyl]amino}ethyl)acetamide

SMILES

CCOc(cc1)ccc1NC(NC(C(Cl)(Cl)Cl)NC(Cc1ccccc1)=O)=S

InChI

InChI=1S/C19H20Cl3N3O2S/c1-2-27-15-10-8-14(9-11-15)23-18(28)25-17(19(20,21)22)24-16(26)12-13-6-4-3-5-7-13/h3-11,17H,2,12H2,1H3,(H,24,26)(H2,23,25,28)/t17-/m0/s1

InChI Key

PZUINKUJNDVCSO-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD00349943

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.81

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.419

Distribution Coefficient, logD

4.197

Water Solubility, LogSw

-4.34

Polar Surface Area

50.270

Acid Dissociation Constant (pKa)

7.58

Base Dissociation Constant (pKb)

-1.21

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.30

1501-0094 in Drug Discovery

Included in Screening Libraries

Autophagy-Targeted Library (4564 compounds)

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 1501-0094 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1501-0094?
Check Price and Availability of 1501-0094, 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 1501-0094 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1501-0094
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1501-0094
  • 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 1501-0094 available by request