C083-0949 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({[3-(morpholin-4-yl)propyl][(thiophen-2-yl)methyl]carbamothioyl}amino)acetamide

C083-0949 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({[3-(morpholin-4-yl)propyl][(thiophen-2-yl)methyl]carbamothioyl}amino)acetamide
C083-0949 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({[3-(morpholin-4-yl)propyl][(thiophen-2-yl)methyl]carbamothioyl}amino)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C083-0949
N-[(2H-1,3-benzodioxol-5-yl)methyl]-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

C083-0949

Molecular Formula

C23H30N4O4S2 (C23 H30 N4 O4 S2)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({[3-(morpholin-4-yl)propyl][(thiophen-2-yl)methyl]carbamothioyl}amino)acetamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-2-({[3-(morpholin-4-yl)propyl][(thiophen-2-yl)methyl]carbamothioyl}amino)acetamide

SMILES

O=C(CNC(N(CCCN1CCOCC1)Cc1cccs1)=S)NCc(cc1)cc2c1OCO2

InChI

InChI=1S/C23H30N4O4S2/c28-22(24-14-18-4-5-20-21(13-18)31-17-30-20)15-25-23(32)27(16-19-3-1-12-33-19)7-2-6-26-8-10-29-11-9-26/h1,3-5,12-13H,2,6-11,14-17H2,(H,24,28)(H,25,32)

InChI Key

CGRYTADHZRATPH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14718035

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.65

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.798

Distribution Coefficient, logD

2.646

Water Solubility, LogSw

-3.15

Polar Surface Area

66.225

Acid Dissociation Constant (pKa)

14.90

Base Dissociation Constant (pKb)

7.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.80

References: we are preparing a list of scientific research reports with C083-0949 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C083-0949?
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What is the minimum amount of C083-0949 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C083-0949
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C083-0949
  • 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 C083-0949 available by request