C800-0028 Screening compound: ethyl 1-[(2-chlorophenyl)methyl]-3-formyl-1H-indole-2-carboxylate

C800-0028 Screening compound: ethyl 1-[(2-chlorophenyl)methyl]-3-formyl-1H-indole-2-carboxylate
C800-0028 Screening compound: ethyl 1-[(2-chlorophenyl)methyl]-3-formyl-1H-indole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C800-0028
ethyl 1-[(2-chlorophenyl)methyl]-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

C800-0028

Molecular Formula

C19H16ClNO3 (C19 H16 ClNO3)

Compound Name

ethyl 1-[(2-chlorophenyl)methyl]-3-formyl-1H-indole-2-carboxylate

IUPAC name

ethyl 1-[(2-chlorophenyl)methyl]-3-formyl-1H-indole-2-carboxylate

SMILES

CCOC(c1c(C=O)c(cccc2)c2n1Cc(cccc1)c1Cl)=O

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.79

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.541

Distribution Coefficient, logD

4.541

Water Solubility, LogSw

-4.37

Polar Surface Area

35.381

Acid Dissociation Constant (pKa)

25.73

Base Dissociation Constant (pKb)

-4.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

C800-0028 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with C800-0028 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C800-0028?
Check Price and Availability of C800-0028, 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 C800-0028 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C800-0028
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C800-0028
  • 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 C800-0028 available by request