C083-0974 Screening compound: 1-[3-(morpholin-4-yl)propyl]-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1-[(thiophen-2-yl)methyl]thiourea

C083-0974 Screening compound: 1-[3-(morpholin-4-yl)propyl]-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1-[(thiophen-2-yl)methyl]thiourea
C083-0974 Screening compound: 1-[3-(morpholin-4-yl)propyl]-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1-[(thiophen-2-yl)methyl]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound C083-0974
1-[3-(morpholin-4-yl)propyl]-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1-[(thiophen-2-yl)methyl]thiourea

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

C083-0974

Molecular Formula

C19H30N4O2S2 (C19 H30 N4 O2 S2)

Compound Name

1-[3-(morpholin-4-yl)propyl]-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1-[(thiophen-2-yl)methyl]thiourea

IUPAC name

1-[3-(morpholin-4-yl)propyl]-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1-[(thiophen-2-yl)methyl]thiourea

SMILES

O=C(CNC(N(CCCN1CCOCC1)Cc1cccs1)=S)N1CCCC1

InChI

InChI=1S/C19H30N4O2S2/c24-18(22-7-1-2-8-22)15-20-19(26)23(16-17-5-3-14-27-17)9-4-6-21-10-12-25-13-11-21/h3,5,14H,1-2,4,6-13,15-16H2,(H,20,26)

InChI Key

DTCIAEBYEKEZEJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14718051

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.6

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.824

Distribution Coefficient, logD

1.671

Water Solubility, LogSw

-2.40

Polar Surface Area

41.396

Acid Dissociation Constant (pKa)

15.73

Base Dissociation Constant (pKb)

7.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

68.40

C083-0974 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with C083-0974 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C083-0974?
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What is the minimum amount of C083-0974 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C083-0974
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C083-0974
  • 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 C083-0974 available by request