8017-2779 Screening compound: N-(5-methyl-1,3,4-thiadiazol-2-yl)-N'-[3-(trifluoromethyl)phenyl]urea

8017-2779 Screening compound: N-(5-methyl-1,3,4-thiadiazol-2-yl)-N'-[3-(trifluoromethyl)phenyl]urea
8017-2779 Screening compound: N-(5-methyl-1,3,4-thiadiazol-2-yl)-N'-[3-(trifluoromethyl)phenyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-2779
N-(5-methyl-1,3,4-thiadiazol-2-yl)-N'-[3-(trifluoromethyl)phenyl]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

8017-2779

Molecular Formula

C11H9F3N4OS (C11 H9 F3 N4 OS)

Compound Name

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

IUPAC name

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

SMILES

Cc1nnc(NC(Nc2cc(C(F)(F)F)ccc2)=O)s1

InChI

InChI=1S/C11H9F3N4OS/c1-6-17-18-10(20-6)16-9(19)15-8-4-2-3-7(5-8)11(12,13)14/h2-5H,1H3,(H2,15,16,18,19)

InChI Key

IIEXWYQKPGREPZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06015550

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

302.28

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.479

Distribution Coefficient, logD

3.477

Water Solubility, LogSw

-3.89

Polar Surface Area

55.893

Acid Dissociation Constant (pKa)

9.87

Base Dissociation Constant (pKb)

-1.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.18

References: we are preparing a list of scientific research reports with 8017-2779 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-2779?
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What is the minimum amount of 8017-2779 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-2779
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-2779
  • 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 8017-2779 available by request