C800-0137 Screening compound: ethyl 1-(1-ethoxy-1-oxobutan-2-yl)-3-formyl-1H-indole-2-carboxylate

C800-0137 Screening compound: ethyl 1-(1-ethoxy-1-oxobutan-2-yl)-3-formyl-1H-indole-2-carboxylate
C800-0137 Screening compound: ethyl 1-(1-ethoxy-1-oxobutan-2-yl)-3-formyl-1H-indole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C800-0137
ethyl 1-(1-ethoxy-1-oxobutan-2-yl)-3-formyl-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

C800-0137

Molecular Formula

C18H21NO5 (C18 H21 NO5)

Compound Name

ethyl 1-(1-ethoxy-1-oxobutan-2-yl)-3-formyl-1H-indole-2-carboxylate

IUPAC name

ethyl 1-(1-ethoxy-1-oxobutan-2-yl)-3-formyl-1H-indole-2-carboxylate

SMILES

CCC(C(OCC)=O)n1c(C(OCC)=O)c(C=O)c2c1cccc2

InChI

InChI=1S/C18H21NO5/c1-4-14(17(21)23-5-2)19-15-10-8-7-9-12(15)13(11-20)16(19)18(22)24-6-3/h7-11,14H,4-6H2,1-3H3/t14-/m0/s1

InChI Key

AQXMWOIKPCSOLR-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD14280763

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.37

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.263

Distribution Coefficient, logD

3.263

Water Solubility, LogSw

-3.05

Polar Surface Area

56.687

Acid Dissociation Constant (pKa)

19.17

Base Dissociation Constant (pKb)

-3.52

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.90

C800-0137 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with C800-0137 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C800-0137?
Check Price and Availability of C800-0137, 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 C800-0137 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C800-0137
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C800-0137
  • 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 C800-0137 available by request