C200-2479 Screening compound: ethyl 3-{[4-(2-fluorophenyl)piperazine-1-carbothioyl]amino}-5-methoxy-1H-indole-2-carboxylate

C200-2479 Screening compound: ethyl 3-{[4-(2-fluorophenyl)piperazine-1-carbothioyl]amino}-5-methoxy-1H-indole-2-carboxylate
C200-2479 Screening compound: ethyl 3-{[4-(2-fluorophenyl)piperazine-1-carbothioyl]amino}-5-methoxy-1H-indole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-2479
ethyl 3-{[4-(2-fluorophenyl)piperazine-1-carbothioyl]amino}-5-methoxy-1H-indole-2-carboxylate

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

C200-2479

Molecular Formula

C23H25FN4O3S (C23 H25 FN4 O3 S)

Compound Name

ethyl 3-{[4-(2-fluorophenyl)piperazine-1-carbothioyl]amino}-5-methoxy-1H-indole-2-carboxylate

IUPAC name

ethyl 3-{[4-(2-fluorophenyl)piperazine-1-carbothioyl]amino}-5-methoxy-1H-indole-2-carboxylate

SMILES

CCOC(c([nH]c(cc1)c2cc1OC)c2NC(N(CC1)CCN1c(cccc1)c1F)=S)=O

InChI

InChI=1S/C23H25FN4O3S/c1-3-31-22(29)21-20(16-14-15(30-2)8-9-18(16)25-21)26-23(32)28-12-10-27(11-13-28)19-7-5-4-6-17(19)24/h4-9,14,25H,3,10-13H2,1-2H3,(H,26,32)

InChI Key

IZRGWUKBBDLGLB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06743950

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.046

Distribution Coefficient, logD

4.046

Water Solubility, LogSw

-4.13

Polar Surface Area

51.118

Acid Dissociation Constant (pKa)

11.43

Base Dissociation Constant (pKb)

3.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

References: we are preparing a list of scientific research reports with C200-2479 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-2479?
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What is the minimum amount of C200-2479 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-2479
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-2479
  • 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 C200-2479 available by request