C857-0456 Screening compound: 1-[5-(1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]-N-[3-(pyrrolidin-1-yl)propyl]piperidine-3-carboxamide

C857-0456 Screening compound: 1-[5-(1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]-N-[3-(pyrrolidin-1-yl)propyl]piperidine-3-carboxamide
C857-0456 Screening compound: 1-[5-(1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]-N-[3-(pyrrolidin-1-yl)propyl]piperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C857-0456
1-[5-(1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]-N-[3-(pyrrolidin-1-yl)propyl]piperidine-3-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

C857-0456

Molecular Formula

C19H28N6OS (C19 H28 N6 OS)

Compound Name

1-[5-(1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]-N-[3-(pyrrolidin-1-yl)propyl]piperidine-3-carboxamide

IUPAC name

1-[5-(1H-pyrrol-1-yl)-134-thiadiazol-2-yl]-N-[3-(pyrrolidin-1-yl)propyl]piperidine-3-carboxamide

SMILES

O=C(C(CCC1)CN1c1nnc(-n2cccc2)s1)NCCCN1CCCC1

InChI

InChI=1S/C19H28N6OS/c26-17(20-8-6-11-23-9-1-2-10-23)16-7-5-14-25(15-16)19-22-21-18(27-19)24-12-3-4-13-24/h3-4,12-13,16H,1-2,5-11,14-15H2,(H,20,26)/t16-/m0/s1

InChI Key

QDHXUVSBBHBFKX-INIZCTEOSA-N

MDL Number (MFCD)

MFCD14801056

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.54

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.073

Distribution Coefficient, logD

-1.017

Water Solubility, LogSw

-2.35

Polar Surface Area

59.347

Acid Dissociation Constant (pKa)

15.00

Base Dissociation Constant (pKb)

10.49

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

63.20

C857-0456 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C857-0456 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C857-0456?
Check Price and Availability of C857-0456, 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 C857-0456 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C857-0456
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C857-0456
  • 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 C857-0456 available by request