V005-6421 Screening compound: 1-benzyl-4-(2-chloro-5-fluorobenzamido)-1H-indol-5-yl N,N-diethylcarbamate

V005-6421 Screening compound: 1-benzyl-4-(2-chloro-5-fluorobenzamido)-1H-indol-5-yl N,N-diethylcarbamate
V005-6421 Screening compound: 1-benzyl-4-(2-chloro-5-fluorobenzamido)-1H-indol-5-yl N,N-diethylcarbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound V005-6421
1-benzyl-4-(2-chloro-5-fluorobenzamido)-1H-indol-5-yl N,N-diethylcarbamate

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

V005-6421

Molecular Formula

C27H25ClFN3O3 (C27 H25 ClFN3 O3)

Compound Name

1-benzyl-4-(2-chloro-5-fluorobenzamido)-1H-indol-5-yl N,N-diethylcarbamate

IUPAC name

1-benzyl-4-(2-chloro-5-fluorobenzamido)-1H-indol-5-yl NN-diethylcarbamate

SMILES

CCN(CC)C(Oc(ccc1c2ccn1Cc1ccccc1)c2NC(c(cc(cc1)F)c1Cl)=O)=O

InChI

InChI=1S/C27H25ClFN3O3/c1-3-31(4-2)27(34)35-24-13-12-23-20(14-15-32(23)17-18-8-6-5-7-9-18)25(24)30-26(33)21-16-19(29)10-11-22(21)28/h5-16H,3-4,17H2,1-2H3,(H,30,33)

InChI Key

HGNQLBWJIKMGRH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19948086

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.97

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.541

Distribution Coefficient, logD

5.483

Water Solubility, LogSw

-5.93

Polar Surface Area

45.740

Acid Dissociation Constant (pKa)

8.24

Base Dissociation Constant (pKb)

0.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

V005-6421 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Indole Derivatives (10091 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with V005-6421 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V005-6421?
Check Price and Availability of V005-6421, 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 V005-6421 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V005-6421
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V005-6421
  • 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 V005-6421 available by request