Y044-5214 Screening compound: N-[(1S)-1-(1H-1,3-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]-N'-[2-(trifluoromethoxy)phenyl]urea

Y044-5214 Screening compound: N-[(1S)-1-(1H-1,3-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]-N'-[2-(trifluoromethoxy)phenyl]urea
Y044-5214 Screening compound: N-[(1S)-1-(1H-1,3-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]-N'-[2-(trifluoromethoxy)phenyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound Y044-5214
N-[(1S)-1-(1H-1,3-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]-N'-[2-(trifluoromethoxy)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

Y044-5214

Molecular Formula

C19H19F3N4O2S (C19 H19 F3 N4 O2 S)

Compound Name

N-[(1S)-1-(1H-1,3-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]-N'-[2-(trifluoromethoxy)phenyl]urea

IUPAC name

3-[(1S)-1-(1H-13-benzodiazol-2-yl)-3-(methylsulfanyl)propyl]-1-[2-(trifluoromethoxy)phenyl]urea

SMILES

CSCCC(c1nc(cccc2)c2[nH]1)NC(Nc(cccc1)c1OC(F)(F)F)=O

InChI

InChI=1S/C19H19F3N4O2S/c1-29-11-10-15(17-23-12-6-2-3-7-13(12)24-17)26-18(27)25-14-8-4-5-9-16(14)28-19(20,21)22/h2-9,15H,10-11H2,1H3,(H,23,24)(H2,25,26,27)/t15-/m0/s1

InChI Key

QHKWFSKSADJKOT-HNNXBMFYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.348

Distribution Coefficient, logD

4.347

Water Solubility, LogSw

-4.45

Polar Surface Area

58.111

Acid Dissociation Constant (pKa)

10.16

Base Dissociation Constant (pKb)

3.58

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.32

References: we are preparing a list of scientific research reports with Y044-5214 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y044-5214?
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What is the minimum amount of Y044-5214 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y044-5214
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y044-5214
  • 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 Y044-5214 available by request