D216-2029 Screening compound: N-(2-quinolyl)-N'-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea

D216-2029 Screening compound: N-(2-quinolyl)-N'-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea
D216-2029 Screening compound: N-(2-quinolyl)-N'-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound D216-2029
N-(2-quinolyl)-N'-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea

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

D216-2029

Molecular Formula

C13H8F3N5OS (C13 H8 F3 N5 OS)

Compound Name

N-(2-quinolyl)-N'-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea

IUPAC name

1-(quinolin-2-yl)-3-[5-(trifluoromethyl)-134-thiadiazol-2-yl]urea

SMILES

O=C(Nc1nnc(C(F)(F)F)s1)Nc1nc2ccccc2cc1

InChI

InChI=1S/C13H8F3N5OS/c14-13(15,16)10-20-21-12(23-10)19-11(22)18-9-6-5-7-3-1-2-4-8(7)17-9/h1-6H,(H2,17,18,19,21,22)

InChI Key

ABOMYKNKCKJZQE-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

339.3

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.037

Distribution Coefficient, logD

2.713

Water Solubility, LogSw

-4.42

Polar Surface Area

64.984

Acid Dissociation Constant (pKa)

6.10

Base Dissociation Constant (pKb)

6.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.69

D216-2029 in Drug Discovery

Included in Screening Libraries

Protein Kinases Inhibitors Library (36801 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D216-2029 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D216-2029?
Check Price and Availability of D216-2029, 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 D216-2029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D216-2029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D216-2029
  • 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 D216-2029 available by request