D216-0085 Screening compound: 1-(5-{[4-(pyrrolidine-1-carbonyl)phenyl]amino}-2-[4-(trifluoromethoxy)phenyl]-2H-1,2,3-triazol-4-yl)ethan-1-one

D216-0085 Screening compound: 1-(5-{[4-(pyrrolidine-1-carbonyl)phenyl]amino}-2-[4-(trifluoromethoxy)phenyl]-2H-1,2,3-triazol-4-yl)ethan-1-one
D216-0085 Screening compound: 1-(5-{[4-(pyrrolidine-1-carbonyl)phenyl]amino}-2-[4-(trifluoromethoxy)phenyl]-2H-1,2,3-triazol-4-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D216-0085
1-(5-{[4-(pyrrolidine-1-carbonyl)phenyl]amino}-2-[4-(trifluoromethoxy)phenyl]-2H-1,2,3-triazol-4-yl)ethan-1-one

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

D216-0085

Molecular Formula

C22H20F3N5O3 (C22 H20 F3 N5 O3)

Compound Name

1-(5-{[4-(pyrrolidine-1-carbonyl)phenyl]amino}-2-[4-(trifluoromethoxy)phenyl]-2H-1,2,3-triazol-4-yl)ethan-1-one

IUPAC name

1-(5-{[4-(pyrrolidine-1-carbonyl)phenyl]amino}-2-[4-(trifluoromethoxy)phenyl]-2H-123-triazol-4-yl)ethan-1-one

SMILES

CC(c1nn(-c(cc2)ccc2OC(F)(F)F)nc1Nc(cc1)ccc1C(N1CCCC1)=O)=O

InChI

InChI=1S/C22H20F3N5O3/c1-14(31)19-20(26-16-6-4-15(5-7-16)21(32)29-12-2-3-13-29)28-30(27-19)17-8-10-18(11-9-17)33-22(23,24)25/h4-11H,2-3,12-13H2,1H3,(H,26,28)

InChI Key

WCBOIEJXIMFSHW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14814228

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.804

Distribution Coefficient, logD

3.804

Water Solubility, LogSw

-4.01

Polar Surface Area

71.671

Acid Dissociation Constant (pKa)

14.81

Base Dissociation Constant (pKb)

-2.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

References: we are preparing a list of scientific research reports with D216-0085 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D216-0085?
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What is the minimum amount of D216-0085 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D216-0085
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D216-0085
  • 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 D216-0085 available by request