C200-2535 Screening compound: ethyl 3-{[benzyl(methyl)carbamothioyl]amino}-5-methoxy-1H-indole-2-carboxylate

C200-2535 Screening compound: ethyl 3-{[benzyl(methyl)carbamothioyl]amino}-5-methoxy-1H-indole-2-carboxylate
C200-2535 Screening compound: ethyl 3-{[benzyl(methyl)carbamothioyl]amino}-5-methoxy-1H-indole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-2535
ethyl 3-{[benzyl(methyl)carbamothioyl]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

C200-2535

Molecular Formula

C21H23N3O3S (C21 H23 N3 O3 S)

Compound Name

ethyl 3-{[benzyl(methyl)carbamothioyl]amino}-5-methoxy-1H-indole-2-carboxylate

IUPAC name

ethyl 3-{[benzyl(methyl)carbamothioyl]amino}-5-methoxy-1H-indole-2-carboxylate

SMILES

CCOC(c([nH]c(cc1)c2cc1OC)c2NC(N(C)Cc1ccccc1)=S)=O

InChI

InChI=1S/C21H23N3O3S/c1-4-27-20(25)19-18(16-12-15(26-3)10-11-17(16)22-19)23-21(28)24(2)13-14-8-6-5-7-9-14/h5-12,22H,4,13H2,1-3H3,(H,23,28)

InChI Key

UCVTYXJCTDJNOS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14726518

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.904

Distribution Coefficient, logD

3.904

Water Solubility, LogSw

-4.14

Polar Surface Area

47.660

Acid Dissociation Constant (pKa)

11.22

Base Dissociation Constant (pKb)

-2.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

C200-2535 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 C200-2535 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-2535?
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What is the minimum amount of C200-2535 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-2535
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-2535
  • 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 C200-2535 available by request