P930-5502 Screening compound: 3-(4-fluorophenyl)-5-{1-[2-(trifluoromethoxy)benzoyl]pyrrolidin-2-yl}-4H-1,2,4-triazole

P930-5502 Screening compound: 3-(4-fluorophenyl)-5-{1-[2-(trifluoromethoxy)benzoyl]pyrrolidin-2-yl}-4H-1,2,4-triazole
P930-5502 Screening compound: 3-(4-fluorophenyl)-5-{1-[2-(trifluoromethoxy)benzoyl]pyrrolidin-2-yl}-4H-1,2,4-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound P930-5502
3-(4-fluorophenyl)-5-{1-[2-(trifluoromethoxy)benzoyl]pyrrolidin-2-yl}-4H-1,2,4-triazole

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

P930-5502

Molecular Formula

C20H16F4N4O2 (C20 H16 F4 N4 O2)

Compound Name

3-(4-fluorophenyl)-5-{1-[2-(trifluoromethoxy)benzoyl]pyrrolidin-2-yl}-4H-1,2,4-triazole

IUPAC name

3-(4-fluorophenyl)-5-[(2S)-1-[2-(trifluoromethoxy)benzoyl]pyrrolidin-2-yl]-4H-124-triazole

SMILES

O=C(c(cccc1)c1OC(F)(F)F)N(CCC1)[C@@H]1c1nnc(-c(cc2)ccc2F)[nH]1

InChI

InChI=1S/C20H16F4N4O2/c21-13-9-7-12(8-10-13)17-25-18(27-26-17)15-5-3-11-28(15)19(29)14-4-1-2-6-16(14)30-20(22,23)24/h1-2,4,6-10,15H,3,5,11H2,(H,25,26,27)/t15-/m0/s1

InChI Key

AMMFXWVVXGCEQQ-HNNXBMFYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.37

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.843

Distribution Coefficient, logD

3.808

Water Solubility, LogSw

-4.09

Polar Surface Area

56.483

Acid Dissociation Constant (pKa)

4.26

Base Dissociation Constant (pKb)

0.59

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with P930-5502 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P930-5502?
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What is the minimum amount of P930-5502 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P930-5502
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P930-5502
  • 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 P930-5502 available by request