C200-2527 Screening compound: ethyl 5-methoxy-3-{[4-(pyridin-2-yl)piperazine-1-carbothioyl]amino}-1H-indole-2-carboxylate

C200-2527 Screening compound: ethyl 5-methoxy-3-{[4-(pyridin-2-yl)piperazine-1-carbothioyl]amino}-1H-indole-2-carboxylate
C200-2527 Screening compound: ethyl 5-methoxy-3-{[4-(pyridin-2-yl)piperazine-1-carbothioyl]amino}-1H-indole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-2527
ethyl 5-methoxy-3-{[4-(pyridin-2-yl)piperazine-1-carbothioyl]amino}-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

C200-2527

Molecular Formula

C22H25N5O3S (C22 H25 N5 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCOC(c([nH]c(cc1)c2cc1OC)c2NC(N(CC1)CCN1c1ncccc1)=S)=O

InChI

InChI=1S/C22H25N5O3S/c1-3-30-21(28)20-19(16-14-15(29-2)7-8-17(16)24-20)25-22(31)27-12-10-26(11-13-27)18-6-4-5-9-23-18/h4-9,14,24H,3,10-13H2,1-2H3,(H,25,31)

InChI Key

YLUPDPZJPVASRP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14726515

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.535

Distribution Coefficient, logD

3.526

Water Solubility, LogSw

-3.80

Polar Surface Area

59.930

Acid Dissociation Constant (pKa)

11.43

Base Dissociation Constant (pKb)

5.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

C200-2527 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C200-2527 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-2527?
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What is the minimum amount of C200-2527 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-2527
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-2527
  • 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 C200-2527 available by request