C083-0941 Screening compound: N-(butan-2-yl)-2-({[3-(morpholin-4-yl)propyl][(thiophen-2-yl)methyl]carbamothioyl}amino)acetamide

C083-0941 Screening compound: N-(butan-2-yl)-2-({[3-(morpholin-4-yl)propyl][(thiophen-2-yl)methyl]carbamothioyl}amino)acetamide
C083-0941 Screening compound: N-(butan-2-yl)-2-({[3-(morpholin-4-yl)propyl][(thiophen-2-yl)methyl]carbamothioyl}amino)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C083-0941
N-(butan-2-yl)-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

C083-0941

Molecular Formula

C19H32N4O2S2 (C19 H32 N4 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

CCC(C)NC(CNC(N(CCCN1CCOCC1)Cc1cccs1)=S)=O

InChI

InChI=1S/C19H32N4O2S2/c1-3-16(2)21-18(24)14-20-19(26)23(15-17-6-4-13-27-17)8-5-7-22-9-11-25-12-10-22/h4,6,13,16H,3,5,7-12,14-15H2,1-2H3,(H,20,26)(H,21,24)/t16-/m0/s1

InChI Key

TUCJDFCHUWNTDV-INIZCTEOSA-N

MDL Number (MFCD)

MFCD14718030

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.62

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.389

Distribution Coefficient, logD

2.237

Water Solubility, LogSw

-2.62

Polar Surface Area

48.822

Acid Dissociation Constant (pKa)

16.12

Base Dissociation Constant (pKb)

7.02

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

68.40

C083-0941 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 C083-0941 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C083-0941?
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What is the minimum amount of C083-0941 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C083-0941
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C083-0941
  • 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 C083-0941 available by request