C857-2239 Screening compound: N-[2-(azepan-1-yl)ethyl]-1-[5-(2,5-dimethyl-1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide

C857-2239 Screening compound: N-[2-(azepan-1-yl)ethyl]-1-[5-(2,5-dimethyl-1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide
C857-2239 Screening compound: N-[2-(azepan-1-yl)ethyl]-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 C857-2239
N-[2-(azepan-1-yl)ethyl]-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

C857-2239

Molecular Formula

C22H34N6OS (C22 H34 N6 OS)

Compound Name

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

IUPAC name

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

SMILES

Cc1ccc(C)n1-c1nnc(N(CCC2)CC2C(NCCN2CCCCCC2)=O)s1

InChI

InChI=1S/C22H34N6OS/c1-17-9-10-18(2)28(17)22-25-24-21(30-22)27-14-7-8-19(16-27)20(29)23-11-15-26-12-5-3-4-6-13-26/h9-10,19H,3-8,11-16H2,1-2H3,(H,23,29)/t19-/m0/s1

InChI Key

HDPWMJZWSFFTFM-IBGZPJMESA-N

MDL Number (MFCD)

MFCD14801231

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.62

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

2.947

Distribution Coefficient, logD

1.164

Water Solubility, LogSw

-3.04

Polar Surface Area

58.215

Acid Dissociation Constant (pKa)

13.28

Base Dissociation Constant (pKb)

9.18

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

68.20

C857-2239 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with C857-2239 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C857-2239?
Check Price and Availability of C857-2239, 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 C857-2239 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C857-2239
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C857-2239
  • 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 C857-2239 available by request