L077-0589 Screening compound: N-(butan-2-yl)-4-[5-(phenylcarbamoyl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide

L077-0589 Screening compound: N-(butan-2-yl)-4-[5-(phenylcarbamoyl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide
L077-0589 Screening compound: N-(butan-2-yl)-4-[5-(phenylcarbamoyl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L077-0589
N-(butan-2-yl)-4-[5-(phenylcarbamoyl)-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

L077-0589

Molecular Formula

C19H25N5O2S (C19 H25 N5 O2 S)

Compound Name

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

IUPAC name

N-(butan-2-yl)-4-[5-(phenylcarbamoyl)-134-thiadiazol-2-yl]piperidine-1-carboxamide

SMILES

CCC(C)NC(N(CC1)CCC1c1nnc(C(Nc2ccccc2)=O)s1)=O

InChI

InChI=1S/C19H25N5O2S/c1-3-13(2)20-19(26)24-11-9-14(10-12-24)17-22-23-18(27-17)16(25)21-15-7-5-4-6-8-15/h4-8,13-14H,3,9-12H2,1-2H3,(H,20,26)(H,21,25)/t13-/m0/s1

InChI Key

XYTRVTHLYTVAGR-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD27229292

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.804

Distribution Coefficient, logD

2.803

Water Solubility, LogSw

-3.33

Polar Surface Area

73.066

Acid Dissociation Constant (pKa)

11.40

Base Dissociation Constant (pKb)

2.75

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.40

L077-0589 in Drug Discovery

Included in Screening Libraries

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

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with L077-0589 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L077-0589?
Check Price and Availability of L077-0589, 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 L077-0589 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L077-0589
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L077-0589
  • 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 L077-0589 available by request