V012-3644 Screening compound: 1-[1-(4,6-dimethyl-1H-indole-2-carbonyl)piperidin-4-yl]-6-fluoro-2-phenyl-1H-1,3-benzodiazole

V012-3644 Screening compound: 1-[1-(4,6-dimethyl-1H-indole-2-carbonyl)piperidin-4-yl]-6-fluoro-2-phenyl-1H-1,3-benzodiazole
V012-3644 Screening compound: 1-[1-(4,6-dimethyl-1H-indole-2-carbonyl)piperidin-4-yl]-6-fluoro-2-phenyl-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound V012-3644
1-[1-(4,6-dimethyl-1H-indole-2-carbonyl)piperidin-4-yl]-6-fluoro-2-phenyl-1H-1,3-benzodiazole

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

V012-3644

Molecular Formula

C29H27FN4O (C29 H27 FN4 O)

Compound Name

1-[1-(4,6-dimethyl-1H-indole-2-carbonyl)piperidin-4-yl]-6-fluoro-2-phenyl-1H-1,3-benzodiazole

IUPAC name

1-[1-(46-dimethyl-1H-indole-2-carbonyl)piperidin-4-yl]-6-fluoro-2-phenyl-1H-13-benzodiazole

SMILES

Cc1cc([nH]c(C(N(CC2)CCC2n2c(-c3ccccc3)nc(cc3)c2cc3F)=O)c2)c2c(C)c1

InChI

InChI=1S/C29H27FN4O/c1-18-14-19(2)23-17-26(31-25(23)15-18)29(35)33-12-10-22(11-13-33)34-27-16-21(30)8-9-24(27)32-28(34)20-6-4-3-5-7-20/h3-9,14-17,22,31H,10-13H2,1-2H3

InChI Key

WLKPHBTZJMABIR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10464032

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

466.56

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.846

Distribution Coefficient, logD

6.846

Water Solubility, LogSw

-5.68

Polar Surface Area

36.277

Acid Dissociation Constant (pKa)

14.54

Base Dissociation Constant (pKb)

2.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.10

V012-3644 in Drug Discovery

Included in Screening Libraries

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

Indole Derivatives (10091 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with V012-3644 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-3644?
Check Price and Availability of V012-3644, 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 V012-3644 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-3644
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-3644
  • 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 V012-3644 available by request