V009-1468 Screening compound: 1-[(2-bromo-5-fluorophenyl)methyl]-4-(4-methylphenyl)-1H-indol-5-yl N,N-diethylcarbamate

V009-1468 Screening compound: 1-[(2-bromo-5-fluorophenyl)methyl]-4-(4-methylphenyl)-1H-indol-5-yl N,N-diethylcarbamate
V009-1468 Screening compound: 1-[(2-bromo-5-fluorophenyl)methyl]-4-(4-methylphenyl)-1H-indol-5-yl N,N-diethylcarbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound V009-1468
1-[(2-bromo-5-fluorophenyl)methyl]-4-(4-methylphenyl)-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

V009-1468

Molecular Formula

C27H26BrFN2O2 (C27 H26 BrFN2 O2)

Compound Name

1-[(2-bromo-5-fluorophenyl)methyl]-4-(4-methylphenyl)-1H-indol-5-yl N,N-diethylcarbamate

IUPAC name

1-[(2-bromo-5-fluorophenyl)methyl]-4-(4-methylphenyl)-1H-indol-5-yl NN-diethylcarbamate

SMILES

CCN(CC)C(Oc(ccc1c2ccn1Cc(cc(cc1)F)c1Br)c2-c1ccc(C)cc1)=O

InChI

InChI=1S/C27H26BrFN2O2/c1-4-30(5-2)27(32)33-25-13-12-24-22(26(25)19-8-6-18(3)7-9-19)14-15-31(24)17-20-16-21(29)10-11-23(20)28/h6-16H,4-5,17H2,1-3H3

InChI Key

AQYABBARPHGBTB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19946896

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

509.42

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

7.477

Distribution Coefficient, logD

7.477

Water Solubility, LogSw

-5.85

Polar Surface Area

23.773

Acid Dissociation Constant (pKa)

26.88

Base Dissociation Constant (pKb)

-1.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

V009-1468 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Indole Derivatives (10091 compounds)

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with V009-1468 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V009-1468?
Check Price and Availability of V009-1468, 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 V009-1468 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V009-1468
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V009-1468
  • 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 V009-1468 available by request