Y031-5993 Screening compound: 1-(2,2-dimethylpropanoyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide

Y031-5993 Screening compound: 1-(2,2-dimethylpropanoyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
Y031-5993 Screening compound: 1-(2,2-dimethylpropanoyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-5993
1-(2,2-dimethylpropanoyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide

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

Y031-5993

Molecular Formula

C14H19F3N4O2S (C14 H19 F3 N4 O2 S)

Compound Name

1-(2,2-dimethylpropanoyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide

IUPAC name

1-(22-dimethylpropanoyl)-N-[5-(trifluoromethyl)-134-thiadiazol-2-yl]piperidine-4-carboxamide

SMILES

CC(C)(C)C(N(CC1)CCC1C(Nc1nnc(C(F)(F)F)s1)=O)=O

InChI

InChI=1S/C14H19F3N4O2S/c1-13(2,3)11(23)21-6-4-8(5-7-21)9(22)18-12-20-19-10(24-12)14(15,16)17/h8H,4-7H2,1-3H3,(H,18,20,22)

InChI Key

RFXDDNHHNCUOSM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09458398

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.566

Distribution Coefficient, logD

0.170

Water Solubility, LogSw

-2.74

Polar Surface Area

63.794

Acid Dissociation Constant (pKa)

5.01

Base Dissociation Constant (pKb)

1.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

71.40

Y031-5993 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with Y031-5993 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-5993?
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What is the minimum amount of Y031-5993 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-5993
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-5993
  • 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 Y031-5993 available by request