C083-0960 Screening compound: N-[(4-fluorophenyl)methyl]-2-({[3-(morpholin-4-yl)propyl][(thiophen-2-yl)methyl]carbamothioyl}amino)acetamide

C083-0960 Screening compound: N-[(4-fluorophenyl)methyl]-2-({[3-(morpholin-4-yl)propyl][(thiophen-2-yl)methyl]carbamothioyl}amino)acetamide
C083-0960 Screening compound: N-[(4-fluorophenyl)methyl]-2-({[3-(morpholin-4-yl)propyl][(thiophen-2-yl)methyl]carbamothioyl}amino)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C083-0960
N-[(4-fluorophenyl)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

C083-0960

Molecular Formula

C22H29FN4O2S2 (C22 H29 FN4 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

O=C(CNC(N(CCCN1CCOCC1)Cc1cccs1)=S)NCc(cc1)ccc1F

InChI

InChI=1S/C22H29FN4O2S2/c23-19-6-4-18(5-7-19)15-24-21(28)16-25-22(30)27(17-20-3-1-14-31-20)9-2-8-26-10-12-29-13-11-26/h1,3-7,14H,2,8-13,15-17H2,(H,24,28)(H,25,30)

InChI Key

ZJOSALVJCDKKLJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14718043

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.63

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

2.914

Distribution Coefficient, logD

2.762

Water Solubility, LogSw

-3.12

Polar Surface Area

49.109

Acid Dissociation Constant (pKa)

12.97

Base Dissociation Constant (pKb)

7.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.50

C083-0960 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with C083-0960 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C083-0960?
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What is the minimum amount of C083-0960 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C083-0960
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C083-0960
  • 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 C083-0960 available by request