Y031-6488 Screening compound: N1,N1-diethyl-N4-[5-(pentan-2-yl)-1,3,4-thiadiazol-2-yl]piperidine-1,4-dicarboxamide

Y031-6488 Screening compound: N1,N1-diethyl-N4-[5-(pentan-2-yl)-1,3,4-thiadiazol-2-yl]piperidine-1,4-dicarboxamide
Y031-6488 Screening compound: N1,N1-diethyl-N4-[5-(pentan-2-yl)-1,3,4-thiadiazol-2-yl]piperidine-1,4-dicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-6488
N1,N1-diethyl-N4-[5-(pentan-2-yl)-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

Y031-6488

Molecular Formula

C18H31N5O2S (C18 H31 N5 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CCCC(C)c1nnc(NC(C(CC2)CCN2C(N(CC)CC)=O)=O)s1

InChI

InChI=1S/C18H31N5O2S/c1-5-8-13(4)16-20-21-17(26-16)19-15(24)14-9-11-23(12-10-14)18(25)22(6-2)7-3/h13-14H,5-12H2,1-4H3,(H,19,21,24)/t13-/m0/s1

InChI Key

NUDZOLZCQHSZLJ-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD15180429

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.463

Distribution Coefficient, logD

3.263

Water Solubility, LogSw

-3.58

Polar Surface Area

64.612

Acid Dissociation Constant (pKa)

7.63

Base Dissociation Constant (pKb)

2.61

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

77.80

Y031-6488 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with Y031-6488 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-6488?
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What is the minimum amount of Y031-6488 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-6488
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-6488
  • 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 Y031-6488 available by request