V012-0216 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-1-(2-chloro-6-fluorophenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-2-carboxamide

V012-0216 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-1-(2-chloro-6-fluorophenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-2-carboxamide
V012-0216 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-1-(2-chloro-6-fluorophenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V012-0216
N-(2H-1,3-benzodioxol-5-yl)-1-(2-chloro-6-fluorophenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-2-carboxamide

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

V012-0216

Molecular Formula

C25H22ClFN2O5 (C25 H22 ClFN2 O5)

Compound Name

N-(2H-1,3-benzodioxol-5-yl)-1-(2-chloro-6-fluorophenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-2-carboxamide

IUPAC name

N-(2H-13-benzodioxol-5-yl)-1-(2-chloro-6-fluorophenyl)-67-dimethoxy-1234-tetrahydroisoquinoline-2-carboxamide

SMILES

COc1cc(CCN(C2c(c(F)ccc3)c3Cl)C(Nc(cc3)cc4c3OCO4)=O)c2cc1OC

InChI

InChI=1S/C25H22ClFN2O5/c1-31-20-10-14-8-9-29(25(30)28-15-6-7-19-22(11-15)34-13-33-19)24(16(14)12-21(20)32-2)23-17(26)4-3-5-18(23)27/h3-7,10-12,24H,8-9,13H2,1-2H3,(H,28,30)/t24-/m0/s1

InChI Key

UDQWJQACMHUTBH-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD19958077

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.91

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.594

Distribution Coefficient, logD

4.594

Water Solubility, LogSw

-4.73

Polar Surface Area

57.058

Acid Dissociation Constant (pKa)

13.51

Base Dissociation Constant (pKb)

-1.32

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

24.00

V012-0216 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with V012-0216 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-0216?
Check Price and Availability of V012-0216, 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 V012-0216 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-0216
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-0216
  • 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 V012-0216 available by request