0502-0079 Screening compound: N-(2,2,2-trichloro-1-{[(4-chlorophenyl)carbamothioyl]amino}ethyl)nonanamide

0502-0079 Screening compound: N-(2,2,2-trichloro-1-{[(4-chlorophenyl)carbamothioyl]amino}ethyl)nonanamide
0502-0079 Screening compound: N-(2,2,2-trichloro-1-{[(4-chlorophenyl)carbamothioyl]amino}ethyl)nonanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0502-0079
N-(2,2,2-trichloro-1-{[(4-chlorophenyl)carbamothioyl]amino}ethyl)nonanamide

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

0502-0079

Molecular Formula

C18H25Cl4N3OS (C18 H25 Cl4 N3 OS)

Compound Name

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

IUPAC name

N-(222-trichloro-1-{[(4-chlorophenyl)carbamothioyl]amino}ethyl)nonanamide

SMILES

CCCCCCCCC(NC(C(Cl)(Cl)Cl)NC(Nc(cc1)ccc1Cl)=S)=O

InChI

InChI=1S/C18H25Cl4N3OS/c1-2-3-4-5-6-7-8-15(26)24-16(18(20,21)22)25-17(27)23-14-11-9-13(19)10-12-14/h9-12,16H,2-8H2,1H3,(H,24,26)(H2,23,25,27)/t16-/m0/s1

InChI Key

JPKVKNDBMQFUPY-INIZCTEOSA-N

MDL Number (MFCD)

MFCD00547676

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.29

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.578

Distribution Coefficient, logD

6.481

Water Solubility, LogSw

-6.18

Polar Surface Area

43.418

Acid Dissociation Constant (pKa)

8.00

Base Dissociation Constant (pKb)

-2.78

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

55.60

0502-0079 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0502-0079 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0502-0079?
Check Price and Availability of 0502-0079, 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 0502-0079 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0502-0079
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0502-0079
  • 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 0502-0079 available by request