L065-0139 Screening compound: N-cyclohexyl-3-{5-[(4-methoxyphenyl)carbamoyl]-1,3,4-thiadiazol-2-yl}piperidine-1-carboxamide

L065-0139 Screening compound: N-cyclohexyl-3-{5-[(4-methoxyphenyl)carbamoyl]-1,3,4-thiadiazol-2-yl}piperidine-1-carboxamide
L065-0139 Screening compound: N-cyclohexyl-3-{5-[(4-methoxyphenyl)carbamoyl]-1,3,4-thiadiazol-2-yl}piperidine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L065-0139
N-cyclohexyl-3-{5-[(4-methoxyphenyl)carbamoyl]-1,3,4-thiadiazol-2-yl}piperidine-1-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

L065-0139

Molecular Formula

C22H29N5O3S (C22 H29 N5 O3 S)

Compound Name

N-cyclohexyl-3-{5-[(4-methoxyphenyl)carbamoyl]-1,3,4-thiadiazol-2-yl}piperidine-1-carboxamide

IUPAC name

N-cyclohexyl-3-{5-[(4-methoxyphenyl)carbamoyl]-134-thiadiazol-2-yl}piperidine-1-carboxamide

SMILES

COc(cc1)ccc1NC(c1nnc(C(CCC2)CN2C(NC2CCCCC2)=O)s1)=O

InChI

InChI=1S/C22H29N5O3S/c1-30-18-11-9-17(10-12-18)23-19(28)21-26-25-20(31-21)15-6-5-13-27(14-15)22(29)24-16-7-3-2-4-8-16/h9-12,15-16H,2-8,13-14H2,1H3,(H,23,28)(H,24,29)/t15-/m0/s1

InChI Key

MLMJYHQAIYKUHP-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD15117202

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.57

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.857

Distribution Coefficient, logD

3.857

Water Solubility, LogSw

-3.97

Polar Surface Area

80.556

Acid Dissociation Constant (pKa)

11.08

Base Dissociation Constant (pKb)

1.91

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

54.50

L065-0139 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with L065-0139 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L065-0139?
Check Price and Availability of L065-0139, 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 L065-0139 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L065-0139
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L065-0139
  • 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 L065-0139 available by request