C348-0021 Screening compound: 1-(3-fluorophenyl)-3-[(Z)-{[5-(piperidine-1-sulfonyl)-1H-indol-3-yl]methylidene}amino]thiourea

C348-0021 Screening compound: 1-(3-fluorophenyl)-3-[(Z)-{[5-(piperidine-1-sulfonyl)-1H-indol-3-yl]methylidene}amino]thiourea
C348-0021 Screening compound: 1-(3-fluorophenyl)-3-[(Z)-{[5-(piperidine-1-sulfonyl)-1H-indol-3-yl]methylidene}amino]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound C348-0021
1-(3-fluorophenyl)-3-[(Z)-{[5-(piperidine-1-sulfonyl)-1H-indol-3-yl]methylidene}amino]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

C348-0021

Molecular Formula

C21H22FN5O2S2 (C21 H22 FN5 O2 S2)

Compound Name

1-(3-fluorophenyl)-3-[(Z)-{[5-(piperidine-1-sulfonyl)-1H-indol-3-yl]methylidene}amino]thiourea

IUPAC name

1-(3-fluorophenyl)-3-[(Z)-{[5-(piperidine-1-sulfonyl)-1H-indol-3-yl]methylidene}amino]thiourea

SMILES

O=S(c(cc1)cc2c1[nH]cc2/C=N\NC(Nc1cc(F)ccc1)=S)(N1CCCCC1)=O

InChI

InChI=1S/C21H22FN5O2S2/c22-16-5-4-6-17(11-16)25-21(30)26-24-14-15-13-23-20-8-7-18(12-19(15)20)31(28,29)27-9-2-1-3-10-27/h4-8,11-14,23H,1-3,9-10H2,(H2,25,26,30)

InChI Key

OREGAXZFZSDQID-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14749974

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.57

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.810

Distribution Coefficient, logD

4.810

Water Solubility, LogSw

-4.80

Polar Surface Area

72.867

Acid Dissociation Constant (pKa)

11.72

Base Dissociation Constant (pKb)

2.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

C348-0021 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C348-0021 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C348-0021?
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What is the minimum amount of C348-0021 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C348-0021
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C348-0021
  • 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 C348-0021 available by request