S970-0793 Screening compound: 3-[4,4-difluoro-1-(5-methyl-1,2-oxazole-3-carbonyl)pyrrolidin-2-yl]-4-[(4-fluorophenyl)methyl]-4H-1,2,4-triazole

S970-0793 Screening compound: 3-[4,4-difluoro-1-(5-methyl-1,2-oxazole-3-carbonyl)pyrrolidin-2-yl]-4-[(4-fluorophenyl)methyl]-4H-1,2,4-triazole
S970-0793 Screening compound: 3-[4,4-difluoro-1-(5-methyl-1,2-oxazole-3-carbonyl)pyrrolidin-2-yl]-4-[(4-fluorophenyl)methyl]-4H-1,2,4-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound S970-0793
3-[4,4-difluoro-1-(5-methyl-1,2-oxazole-3-carbonyl)pyrrolidin-2-yl]-4-[(4-fluorophenyl)methyl]-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

S970-0793

Molecular Formula

C18H16F3N5O2 (C18 H16 F3 N5 O2)

Compound Name

3-[4,4-difluoro-1-(5-methyl-1,2-oxazole-3-carbonyl)pyrrolidin-2-yl]-4-[(4-fluorophenyl)methyl]-4H-1,2,4-triazole

IUPAC name

3-[(2S)-44-difluoro-1-(5-methyl-12-oxazole-3-carbonyl)pyrrolidin-2-yl]-4-[(4-fluorophenyl)methyl]-4H-124-triazole

SMILES

Cc1cc(C(N(CC(C2)(F)F)[C@@H]2c2nncn2Cc(cc2)ccc2F)=O)no1

InChI

InChI=1S/C18H16F3N5O2/c1-11-6-14(24-28-11)17(27)26-9-18(20,21)7-15(26)16-23-22-10-25(16)8-12-2-4-13(19)5-3-12/h2-6,10,15H,7-9H2,1H3/t15-/m0/s1

InChI Key

RLNFJJKMLLHDRH-HNNXBMFYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.35

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.276

Distribution Coefficient, logD

2.276

Water Solubility, LogSw

-2.65

Polar Surface Area

62.193

Acid Dissociation Constant (pKa)

19.13

Base Dissociation Constant (pKb)

-0.16

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.33

S970-0793 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with S970-0793 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S970-0793?
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What is the minimum amount of S970-0793 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S970-0793
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S970-0793
  • 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 S970-0793 available by request