C200-1768 Screening compound: 1,4-dimethyl 2-{[4-(2-fluorophenyl)piperazine-1-carbothioyl]amino}benzene-1,4-dicarboxylate

C200-1768 Screening compound: 1,4-dimethyl 2-{[4-(2-fluorophenyl)piperazine-1-carbothioyl]amino}benzene-1,4-dicarboxylate
C200-1768 Screening compound: 1,4-dimethyl 2-{[4-(2-fluorophenyl)piperazine-1-carbothioyl]amino}benzene-1,4-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-1768
1,4-dimethyl 2-{[4-(2-fluorophenyl)piperazine-1-carbothioyl]amino}benzene-1,4-dicarboxylate

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

C200-1768

Molecular Formula

C21H22FN3O4S (C21 H22 FN3 O4 S)

Compound Name

1,4-dimethyl 2-{[4-(2-fluorophenyl)piperazine-1-carbothioyl]amino}benzene-1,4-dicarboxylate

IUPAC name

14-dimethyl 2-{[4-(2-fluorophenyl)piperazine-1-carbothioyl]amino}benzene-14-dicarboxylate

SMILES

COC(c(cc1)cc(NC(N(CC2)CCN2c(cccc2)c2F)=S)c1C(OC)=O)=O

InChI

InChI=1S/C21H22FN3O4S/c1-28-19(26)14-7-8-15(20(27)29-2)17(13-14)23-21(30)25-11-9-24(10-12-25)18-6-4-3-5-16(18)22/h3-8,13H,9-12H2,1-2H3,(H,23,30)

InChI Key

ZFXPEMKWJXGIRD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14726228

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.198

Distribution Coefficient, logD

4.198

Water Solubility, LogSw

-4.23

Polar Surface Area

55.746

Acid Dissociation Constant (pKa)

10.59

Base Dissociation Constant (pKb)

3.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

C200-1768 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C200-1768 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-1768?
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What is the minimum amount of C200-1768 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-1768
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-1768
  • 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 C200-1768 available by request