S828-3562 Screening compound: 2-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-4,4-difluoropyrrolidin-2-yl]-5-methyl-1,3,4-oxadiazole

S828-3562 Screening compound: 2-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-4,4-difluoropyrrolidin-2-yl]-5-methyl-1,3,4-oxadiazole
S828-3562 Screening compound: 2-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-4,4-difluoropyrrolidin-2-yl]-5-methyl-1,3,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound S828-3562
2-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-4,4-difluoropyrrolidin-2-yl]-5-methyl-1,3,4-oxadiazole

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

S828-3562

Molecular Formula

C13H14F2N4O3 (C13 H14 F2 N4 O3)

Compound Name

2-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-4,4-difluoropyrrolidin-2-yl]-5-methyl-1,3,4-oxadiazole

IUPAC name

2-[(2S)-1-(35-dimethyl-12-oxazole-4-carbonyl)-44-difluoropyrrolidin-2-yl]-5-methyl-134-oxadiazole

SMILES

Cc1noc(C)c1C(N(CC(C1)(F)F)[C@@H]1c1nnc(C)o1)=O

InChI

InChI=1S/C13H14F2N4O3/c1-6-10(7(2)22-18-6)12(20)19-5-13(14,15)4-9(19)11-17-16-8(3)21-11/h9H,4-5H2,1-3H3/t9-/m1/s1

InChI Key

JGOVFGZKAWAJHL-SECBINFHSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

312.28

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.831

Distribution Coefficient, logD

0.831

Water Solubility, LogSw

-0.71

Polar Surface Area

68.662

Acid Dissociation Constant (pKa)

24.68

Base Dissociation Constant (pKb)

-2.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

53.85

S828-3562 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS MPO Library (28609 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with S828-3562 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S828-3562?
Check Price and Availability of S828-3562, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of S828-3562 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S828-3562
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S828-3562
  • 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 S828-3562 available by request