C857-2288 Screening compound: N-[(4-butoxyphenyl)methyl]-1-[5-(2,5-dimethyl-1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide

C857-2288 Screening compound: N-[(4-butoxyphenyl)methyl]-1-[5-(2,5-dimethyl-1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide
C857-2288 Screening compound: N-[(4-butoxyphenyl)methyl]-1-[5-(2,5-dimethyl-1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C857-2288
N-[(4-butoxyphenyl)methyl]-1-[5-(2,5-dimethyl-1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]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

C857-2288

Molecular Formula

C25H33N5O2S (C25 H33 N5 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CCCCOc1ccc(CNC(C(CCC2)CN2c2nnc(-n3c(C)ccc3C)s2)=O)cc1

InChI

InChI=1S/C25H33N5O2S/c1-4-5-15-32-22-12-10-20(11-13-22)16-26-23(31)21-7-6-14-29(17-21)24-27-28-25(33-24)30-18(2)8-9-19(30)3/h8-13,21H,4-7,14-17H2,1-3H3,(H,26,31)/t21-/m0/s1

InChI Key

YXLWROIFQZLHHT-NRFANRHFSA-N

MDL Number (MFCD)

MFCD14801243

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.64

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.464

Distribution Coefficient, logD

4.464

Water Solubility, LogSw

-4.07

Polar Surface Area

61.478

Acid Dissociation Constant (pKa)

13.50

Base Dissociation Constant (pKb)

2.95

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

48.00

C857-2288 in Drug Discovery

Included in Screening Libraries

Therapeutical Diversity Annotated Library (7563 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C857-2288 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C857-2288?
Check Price and Availability of C857-2288, 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 C857-2288 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C857-2288
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C857-2288
  • 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 C857-2288 available by request