C083-0955 Screening compound: N-(3-methylbutyl)-2-({[3-(morpholin-4-yl)propyl][(thiophen-2-yl)methyl]carbamothioyl}amino)acetamide

C083-0955 Screening compound: N-(3-methylbutyl)-2-({[3-(morpholin-4-yl)propyl][(thiophen-2-yl)methyl]carbamothioyl}amino)acetamide
C083-0955 Screening compound: N-(3-methylbutyl)-2-({[3-(morpholin-4-yl)propyl][(thiophen-2-yl)methyl]carbamothioyl}amino)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C083-0955
N-(3-methylbutyl)-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

C083-0955

Molecular Formula

C20H34N4O2S2 (C20 H34 N4 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

CC(C)CCNC(CNC(N(CCCN1CCOCC1)Cc1cccs1)=S)=O

InChI

InChI=1S/C20H34N4O2S2/c1-17(2)6-7-21-19(25)15-22-20(27)24(16-18-5-3-14-28-18)9-4-8-23-10-12-26-13-11-23/h3,5,14,17H,4,6-13,15-16H2,1-2H3,(H,21,25)(H,22,27)

InChI Key

JUGCVGRHASFNLV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14718039

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.65

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.752

Distribution Coefficient, logD

2.600

Water Solubility, LogSw

-2.99

Polar Surface Area

49.222

Acid Dissociation Constant (pKa)

14.58

Base Dissociation Constant (pKb)

7.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

70.00

C083-0955 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with C083-0955 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C083-0955?
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What is the minimum amount of C083-0955 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C083-0955
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C083-0955
  • 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 C083-0955 available by request