C083-0968 Screening compound: N-[2-(morpholin-4-yl)ethyl]-2-({[3-(morpholin-4-yl)propyl][(thiophen-2-yl)methyl]carbamothioyl}amino)acetamide

C083-0968 Screening compound: N-[2-(morpholin-4-yl)ethyl]-2-({[3-(morpholin-4-yl)propyl][(thiophen-2-yl)methyl]carbamothioyl}amino)acetamide
C083-0968 Screening compound: N-[2-(morpholin-4-yl)ethyl]-2-({[3-(morpholin-4-yl)propyl][(thiophen-2-yl)methyl]carbamothioyl}amino)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C083-0968
N-[2-(morpholin-4-yl)ethyl]-2-({[3-(morpholin-4-yl)propyl][(thiophen-2-yl)methyl]carbamothioyl}amino)acetamide

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

C083-0968

Molecular Formula

C21H35N5O3S2 (C21 H35 N5 O3 S2)

Compound Name

N-[2-(morpholin-4-yl)ethyl]-2-({[3-(morpholin-4-yl)propyl][(thiophen-2-yl)methyl]carbamothioyl}amino)acetamide

IUPAC name

N-[2-(morpholin-4-yl)ethyl]-2-({[3-(morpholin-4-yl)propyl][(thiophen-2-yl)methyl]carbamothioyl}amino)acetamide

SMILES

O=C(CNC(N(CCCN1CCOCC1)Cc1cccs1)=S)NCCN1CCOCC1

InChI

InChI=1S/C21H35N5O3S2/c27-20(22-4-7-25-10-14-29-15-11-25)17-23-21(30)26(18-19-3-1-16-31-19)6-2-5-24-8-12-28-13-9-24/h1,3,16H,2,4-15,17-18H2,(H,22,27)(H,23,30)

InChI Key

ZDXMOWQSOKOIPJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14718049

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.67

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.798

Distribution Coefficient, logD

0.646

Water Solubility, LogSw

-2.11

Polar Surface Area

60.842

Acid Dissociation Constant (pKa)

14.18

Base Dissociation Constant (pKb)

7.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

71.40

C083-0968 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with C083-0968 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C083-0968?
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What is the minimum amount of C083-0968 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C083-0968
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C083-0968
  • 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 C083-0968 available by request