C800-0033 Screening compound: ethyl 1-[(2-chloro-4-fluorophenyl)methyl]-3-formyl-1H-indole-2-carboxylate

C800-0033 Screening compound: ethyl 1-[(2-chloro-4-fluorophenyl)methyl]-3-formyl-1H-indole-2-carboxylate
C800-0033 Screening compound: ethyl 1-[(2-chloro-4-fluorophenyl)methyl]-3-formyl-1H-indole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C800-0033
ethyl 1-[(2-chloro-4-fluorophenyl)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

C800-0033

Molecular Formula

C19H15ClFNO3 (C19 H15 ClFNO3)

Compound Name

ethyl 1-[(2-chloro-4-fluorophenyl)methyl]-3-formyl-1H-indole-2-carboxylate

IUPAC name

ethyl 1-[(2-chloro-4-fluorophenyl)methyl]-3-formyl-1H-indole-2-carboxylate

SMILES

CCOC(c1c(C=O)c(cccc2)c2n1Cc(ccc(F)c1)c1Cl)=O

InChI

InChI=1S/C19H15ClFNO3/c1-2-25-19(24)18-15(11-23)14-5-3-4-6-17(14)22(18)10-12-7-8-13(21)9-16(12)20/h3-9,11H,2,10H2,1H3

InChI Key

PVKBIKTUUXUILA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14280719

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.78

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

4.782

Distribution Coefficient, logD

4.782

Water Solubility, LogSw

-4.89

Polar Surface Area

35.381

Acid Dissociation Constant (pKa)

25.26

Base Dissociation Constant (pKb)

-4.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

C800-0033 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 C800-0033 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C800-0033?
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What is the minimum amount of C800-0033 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C800-0033
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C800-0033
  • 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 C800-0033 available by request