C857-2144 Screening compound: 1-[5-(2,5-dimethyl-1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]-N-(4-ethoxyphenyl)piperidine-3-carboxamide

C857-2144 Screening compound: 1-[5-(2,5-dimethyl-1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]-N-(4-ethoxyphenyl)piperidine-3-carboxamide
C857-2144 Screening compound: 1-[5-(2,5-dimethyl-1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]-N-(4-ethoxyphenyl)piperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C857-2144
1-[5-(2,5-dimethyl-1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]-N-(4-ethoxyphenyl)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

C857-2144

Molecular Formula

C22H27N5O2S (C22 H27 N5 O2 S)

Compound Name

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

IUPAC name

1-[5-(25-dimethyl-1H-pyrrol-1-yl)-134-thiadiazol-2-yl]-N-(4-ethoxyphenyl)piperidine-3-carboxamide

SMILES

CCOc(cc1)ccc1NC(C(CCC1)CN1c1nnc(-n2c(C)ccc2C)s1)=O

InChI

InChI=1S/C22H27N5O2S/c1-4-29-19-11-9-18(10-12-19)23-20(28)17-6-5-13-26(14-17)21-24-25-22(30-21)27-15(2)7-8-16(27)3/h7-12,17H,4-6,13-14H2,1-3H3,(H,23,28)/t17-/m0/s1

InChI Key

FWDSCDNCGNKGJS-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD14801198

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.712

Distribution Coefficient, logD

3.712

Water Solubility, LogSw

-3.75

Polar Surface Area

59.862

Acid Dissociation Constant (pKa)

11.68

Base Dissociation Constant (pKb)

2.95

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.90

C857-2144 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with C857-2144 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C857-2144?
Check Price and Availability of C857-2144, 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 C857-2144 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C857-2144
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C857-2144
  • 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 C857-2144 available by request