C200-2539 Screening compound: ethyl 3-{[4-(ethoxycarbonyl)piperidine-1-carbothioyl]amino}-5-methoxy-1H-indole-2-carboxylate

C200-2539 Screening compound: ethyl 3-{[4-(ethoxycarbonyl)piperidine-1-carbothioyl]amino}-5-methoxy-1H-indole-2-carboxylate
C200-2539 Screening compound: ethyl 3-{[4-(ethoxycarbonyl)piperidine-1-carbothioyl]amino}-5-methoxy-1H-indole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-2539
ethyl 3-{[4-(ethoxycarbonyl)piperidine-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

C200-2539

Molecular Formula

C21H27N3O5S (C21 H27 N3 O5 S)

Compound Name

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

IUPAC name

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

SMILES

CCOC(C(CC1)CCN1C(Nc1c(C(OCC)=O)[nH]c(cc2)c1cc2OC)=S)=O

InChI

InChI=1S/C21H27N3O5S/c1-4-28-19(25)13-8-10-24(11-9-13)21(30)23-17-15-12-14(27-3)6-7-16(15)22-18(17)20(26)29-5-2/h6-7,12-13,22H,4-5,8-11H2,1-3H3,(H,23,30)

InChI Key

ZFTGVWFRXHWDKI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06403618

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.53

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.144

Distribution Coefficient, logD

3.144

Water Solubility, LogSw

-3.31

Polar Surface Area

68.912

Acid Dissociation Constant (pKa)

11.43

Base Dissociation Constant (pKb)

-1.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.60

C200-2539 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C200-2539 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-2539?
Check Price and Availability of C200-2539, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C200-2539 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-2539
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-2539
  • 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 C200-2539 available by request