P930-5517 Screening compound: 1-{2-[5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]pyrrolidin-1-yl}-2-[4-(trifluoromethoxy)phenyl]ethan-1-one

P930-5517 Screening compound: 1-{2-[5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]pyrrolidin-1-yl}-2-[4-(trifluoromethoxy)phenyl]ethan-1-one
P930-5517 Screening compound: 1-{2-[5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]pyrrolidin-1-yl}-2-[4-(trifluoromethoxy)phenyl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound P930-5517
1-{2-[5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]pyrrolidin-1-yl}-2-[4-(trifluoromethoxy)phenyl]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

P930-5517

Molecular Formula

C21H18F4N4O2 (C21 H18 F4 N4 O2)

Compound Name

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

IUPAC name

1-[(2S)-2-[5-(4-fluorophenyl)-4H-124-triazol-3-yl]pyrrolidin-1-yl]-2-[4-(trifluoromethoxy)phenyl]ethan-1-one

SMILES

O=C(Cc(cc1)ccc1OC(F)(F)F)N(CCC1)[C@@H]1c1nnc(-c(cc2)ccc2F)[nH]1

InChI

InChI=1S/C21H18F4N4O2/c22-15-7-5-14(6-8-15)19-26-20(28-27-19)17-2-1-11-29(17)18(30)12-13-3-9-16(10-4-13)31-21(23,24)25/h3-10,17H,1-2,11-12H2,(H,26,27,28)/t17-/m0/s1

InChI Key

AONVPJPONDIIHO-KRWDZBQOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.39

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.048

Distribution Coefficient, logD

4.012

Water Solubility, LogSw

-4.24

Polar Surface Area

55.869

Acid Dissociation Constant (pKa)

4.03

Base Dissociation Constant (pKb)

1.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.57

P930-5517 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with P930-5517 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P930-5517?
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What is the minimum amount of P930-5517 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P930-5517
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P930-5517
  • 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 P930-5517 available by request