V008-0435 Screening compound: 1-[(3-benzoylphenyl)methyl]-4-(4-cyanophenyl)-1H-indol-5-yl N,N-diethylcarbamate

V008-0435 Screening compound: 1-[(3-benzoylphenyl)methyl]-4-(4-cyanophenyl)-1H-indol-5-yl N,N-diethylcarbamate
V008-0435 Screening compound: 1-[(3-benzoylphenyl)methyl]-4-(4-cyanophenyl)-1H-indol-5-yl N,N-diethylcarbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-0435
1-[(3-benzoylphenyl)methyl]-4-(4-cyanophenyl)-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

V008-0435

Molecular Formula

C34H29N3O3 (C34 H29 N3 O3)

Compound Name

1-[(3-benzoylphenyl)methyl]-4-(4-cyanophenyl)-1H-indol-5-yl N,N-diethylcarbamate

IUPAC name

1-[(3-benzoylphenyl)methyl]-4-(4-cyanophenyl)-1H-indol-5-yl NN-diethylcarbamate

SMILES

CCN(CC)C(Oc(ccc1c2ccn1Cc1cc(C(c3ccccc3)=O)ccc1)c2-c(cc1)ccc1C#N)=O

InChI

InChI=1S/C34H29N3O3/c1-3-36(4-2)34(39)40-31-18-17-30-29(32(31)26-15-13-24(22-35)14-16-26)19-20-37(30)23-25-9-8-12-28(21-25)33(38)27-10-6-5-7-11-27/h5-21H,3-4,23H2,1-2H3

InChI Key

DCPVBATWAYSDOT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19946858

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

527.62

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.874

Distribution Coefficient, logD

6.874

Water Solubility, LogSw

-5.89

Polar Surface Area

54.296

Acid Dissociation Constant (pKa)

27.27

Base Dissociation Constant (pKb)

-1.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.70

V008-0435 in Drug Discovery

Included in Screening Libraries

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

C-Met Library (15277 compounds)

Indole Derivatives (10091 compounds)

MCL1 Targeted Library (12200 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Kinases
  • Phosphatases
Mechanism of action:
  • Receptor's ligands
  • Epigenetic
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with V008-0435 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-0435?
Check Price and Availability of V008-0435, 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 V008-0435 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-0435
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-0435
  • 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 V008-0435 available by request