Y031-7518 Screening compound: N1,N1-diethyl-N4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-1,4-dicarboxamide

Y031-7518 Screening compound: N1,N1-diethyl-N4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-1,4-dicarboxamide
Y031-7518 Screening compound: N1,N1-diethyl-N4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-1,4-dicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-7518
N1,N1-diethyl-N4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-1,4-dicarboxamide

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

Y031-7518

Molecular Formula

C14H20F3N5O2S (C14 H20 F3 N5 O2 S)

Compound Name

N1,N1-diethyl-N4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-1,4-dicarboxamide

IUPAC name

N1N1-diethyl-N4-[5-(trifluoromethyl)-134-thiadiazol-2-yl]piperidine-14-dicarboxamide

SMILES

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

InChI

InChI=1S/C14H20F3N5O2S/c1-3-21(4-2)13(24)22-7-5-9(6-8-22)10(23)18-12-20-19-11(25-12)14(15,16)17/h9H,3-8H2,1-2H3,(H,18,20,23)

InChI Key

OVZCZZCQUVEDHD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15180388

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.546

Distribution Coefficient, logD

0.150

Water Solubility, LogSw

-2.77

Polar Surface Area

64.612

Acid Dissociation Constant (pKa)

5.01

Base Dissociation Constant (pKb)

2.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

71.43

References: we are preparing a list of scientific research reports with Y031-7518 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-7518?
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What is the minimum amount of Y031-7518 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-7518
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-7518
  • 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 Y031-7518 available by request