C270-0171 Screening compound: ethyl 4-[({3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}carbamothioyl)amino]benzoate

C270-0171 Screening compound: ethyl 4-[({3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}carbamothioyl)amino]benzoate
C270-0171 Screening compound: ethyl 4-[({3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}carbamothioyl)amino]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C270-0171
ethyl 4-[({3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}carbamothioyl)amino]benzoate

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

C270-0171

Molecular Formula

C23H29FN4O2S (C23 H29 FN4 O2 S)

Compound Name

ethyl 4-[({3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}carbamothioyl)amino]benzoate

IUPAC name

ethyl 4-[({3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}carbamothioyl)amino]benzoate

SMILES

CCOC(c(cc1)ccc1NC(NCCCN(CC1)CCN1c(cc1)ccc1F)=S)=O

InChI

InChI=1S/C23H29FN4O2S/c1-2-30-22(29)18-4-8-20(9-5-18)26-23(31)25-12-3-13-27-14-16-28(17-15-27)21-10-6-19(24)7-11-21/h4-11H,2-3,12-17H2,1H3,(H2,25,26,31)

InChI Key

WGDZZDMBNRNQHG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04139336

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.57

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.013

Distribution Coefficient, logD

3.570

Water Solubility, LogSw

-3.91

Polar Surface Area

48.221

Acid Dissociation Constant (pKa)

13.17

Base Dissociation Constant (pKb)

7.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

C270-0171 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with C270-0171 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C270-0171?
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What is the minimum amount of C270-0171 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C270-0171
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C270-0171
  • 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 C270-0171 available by request