V014-6245 Screening compound: N~1~-(1,3-benzodioxol-5-ylmethyl)-3-(3,4-dichlorophenyl)-3-(1H-indol-3-yl)propanamide

V014-6245 Screening compound: N~1~-(1,3-benzodioxol-5-ylmethyl)-3-(3,4-dichlorophenyl)-3-(1H-indol-3-yl)propanamide
V014-6245 Screening compound: N~1~-(1,3-benzodioxol-5-ylmethyl)-3-(3,4-dichlorophenyl)-3-(1H-indol-3-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V014-6245
N~1~-(1,3-benzodioxol-5-ylmethyl)-3-(3,4-dichlorophenyl)-3-(1H-indol-3-yl)propanamide

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

V014-6245

Molecular Formula

C25H20Cl2N2O3 (C25 H20 Cl2 N2 O3)

Compound Name

N~1~-(1,3-benzodioxol-5-ylmethyl)-3-(3,4-dichlorophenyl)-3-(1H-indol-3-yl)propanamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-3-(34-dichlorophenyl)-3-(1H-indol-3-yl)propanamide

SMILES

O=C(CC(c1c[nH]c2c1cccc2)c(cc1)cc(Cl)c1Cl)NCc(cc1)cc2c1OCO2

InChI

InChI=1S/C25H20Cl2N2O3/c26-20-7-6-16(10-21(20)27)18(19-13-28-22-4-2-1-3-17(19)22)11-25(30)29-12-15-5-8-23-24(9-15)32-14-31-23/h1-10,13,18,28H,11-12,14H2,(H,29,30)/t18-/m1/s1

InChI Key

XRMGJRHBZMBOEG-GOSISDBHSA-N

MDL Number (MFCD)

MFCD19852286

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.35

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.087

Distribution Coefficient, logD

6.087

Water Solubility, LogSw

-6.51

Polar Surface Area

51.153

Acid Dissociation Constant (pKa)

13.50

Base Dissociation Constant (pKb)

-1.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.00

V014-6245 in Drug Discovery

Included in Screening Libraries

Indole Derivatives (10091 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with V014-6245 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V014-6245?
Check Price and Availability of V014-6245, 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 V014-6245 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V014-6245
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V014-6245
  • 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 V014-6245 available by request