E864-0466 Screening compound: ethyl 2-{[6-chloro-1-(4-fluorophenyl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-2-carbonyl]amino}acetate

E864-0466 Screening compound: ethyl 2-{[6-chloro-1-(4-fluorophenyl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-2-carbonyl]amino}acetate
E864-0466 Screening compound: ethyl 2-{[6-chloro-1-(4-fluorophenyl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-2-carbonyl]amino}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound E864-0466
ethyl 2-{[6-chloro-1-(4-fluorophenyl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-2-carbonyl]amino}acetate

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

E864-0466

Molecular Formula

C22H21ClFN3O3 (C22 H21 ClFN3 O3)

Compound Name

ethyl 2-{[6-chloro-1-(4-fluorophenyl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-2-carbonyl]amino}acetate

IUPAC name

ethyl 2-{[6-chloro-1-(4-fluorophenyl)-1H2H3H4H9H-pyrido[34-b]indole-2-carbonyl]amino}acetate

SMILES

CCOC(CNC(N(CCc1c2[nH]c(cc3)c1cc3Cl)C2c(cc1)ccc1F)=O)=O

InChI

InChI=1S/C22H21ClFN3O3/c1-2-30-19(28)12-25-22(29)27-10-9-16-17-11-14(23)5-8-18(17)26-20(16)21(27)13-3-6-15(24)7-4-13/h3-8,11,21,26H,2,9-10,12H2,1H3,(H,25,29)/t21-/m1/s1

InChI Key

XVHYDGBGHWRTTL-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD14924337

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.88

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.698

Distribution Coefficient, logD

4.698

Water Solubility, LogSw

-4.95

Polar Surface Area

56.645

Acid Dissociation Constant (pKa)

15.61

Base Dissociation Constant (pKb)

-3.46

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

E864-0466 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with E864-0466 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E864-0466?
Check Price and Availability of E864-0466, 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 E864-0466 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E864-0466
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E864-0466
  • 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 E864-0466 available by request