8018-4972 Screening compound: ethyl 4-[({4-[3-(trifluoromethyl)anilino]piperidino}carbothioyl)amino]benzoate

8018-4972 Screening compound: ethyl 4-[({4-[3-(trifluoromethyl)anilino]piperidino}carbothioyl)amino]benzoate
8018-4972 Screening compound: ethyl 4-[({4-[3-(trifluoromethyl)anilino]piperidino}carbothioyl)amino]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-4972
ethyl 4-[({4-[3-(trifluoromethyl)anilino]piperidino}carbothioyl)amino]benzoate

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

8018-4972

Molecular Formula

C22H24F3N3O2S (C22 H24 F3 N3 O2 S)

Compound Name

ethyl 4-[({4-[3-(trifluoromethyl)anilino]piperidino}carbothioyl)amino]benzoate

IUPAC name

n/a

SMILES

CCOC(c(cc1)ccc1NC(N(CC1)CCC1Nc1cc(C(F)(F)F)ccc1)=S)=O

InChI

InChI=1S/C22H24F3N3O2S/c1-2-30-20(29)15-6-8-17(9-7-15)27-21(31)28-12-10-18(11-13-28)26-19-5-3-4-16(14-19)22(23,24)25/h3-9,14,18,26H,2,10-13H2,1H3,(H,27,31)

InChI Key

QBMBRSFLCARSOE-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.803

Distribution Coefficient, logD

5.803

Water Solubility, LogSw

-5.65

Polar Surface Area

41.658

Acid Dissociation Constant (pKa)

13.38

Base Dissociation Constant (pKb)

4.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

References: we are preparing a list of scientific research reports with 8018-4972 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-4972?
Check Price and Availability of 8018-4972, 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 8018-4972 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-4972
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-4972
  • 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 8018-4972 available by request