1683-6251 Screening compound: 1-[3-(trifluoromethyl)phenyl]-3-(3,4,5-trimethoxybenzoyl)thiourea

1683-6251 Screening compound: 1-[3-(trifluoromethyl)phenyl]-3-(3,4,5-trimethoxybenzoyl)thiourea
1683-6251 Screening compound: 1-[3-(trifluoromethyl)phenyl]-3-(3,4,5-trimethoxybenzoyl)thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound 1683-6251
1-[3-(trifluoromethyl)phenyl]-3-(3,4,5-trimethoxybenzoyl)thiourea

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

1683-6251

Molecular Formula

C18H17F3N2O4S (C18 H17 F3 N2 O4 S)

Compound Name

1-[3-(trifluoromethyl)phenyl]-3-(3,4,5-trimethoxybenzoyl)thiourea

IUPAC name

1-[3-(trifluoromethyl)phenyl]-3-(345-trimethoxybenzoyl)thiourea

SMILES

COc1cc(C(NC(Nc2cc(C(F)(F)F)ccc2)=S)=O)cc(OC)c1OC

InChI

InChI=1S/C18H17F3N2O4S/c1-25-13-7-10(8-14(26-2)15(13)27-3)16(24)23-17(28)22-12-6-4-5-11(9-12)18(19,20)21/h4-9H,1-3H3,(H2,22,23,24,28)

InChI Key

VGVRKYYESQJYHH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00704823

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.227

Distribution Coefficient, logD

4.227

Water Solubility, LogSw

-4.52

Polar Surface Area

56.218

Acid Dissociation Constant (pKa)

10.63

Base Dissociation Constant (pKb)

-3.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

1683-6251 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Covalent Inhibitors Library (7986 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Structure:
  • Cyclic compounds
  • 3D
  • Fragments
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 1683-6251 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1683-6251?
Check Price and Availability of 1683-6251, 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 1683-6251 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1683-6251
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1683-6251
  • 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 1683-6251 available by request