V012-3660 Screening compound: N-[4-(difluoromethoxy)phenyl]-9,10-dimethoxy-4-oxo-1H,2H,3H,4H,6H,7H,11bH-pyrazino[2,1-a]isoquinoline-2-carbothioamide

V012-3660 Screening compound: N-[4-(difluoromethoxy)phenyl]-9,10-dimethoxy-4-oxo-1H,2H,3H,4H,6H,7H,11bH-pyrazino[2,1-a]isoquinoline-2-carbothioamide
V012-3660 Screening compound: N-[4-(difluoromethoxy)phenyl]-9,10-dimethoxy-4-oxo-1H,2H,3H,4H,6H,7H,11bH-pyrazino[2,1-a]isoquinoline-2-carbothioamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V012-3660
N-[4-(difluoromethoxy)phenyl]-9,10-dimethoxy-4-oxo-1H,2H,3H,4H,6H,7H,11bH-pyrazino[2,1-a]isoquinoline-2-carbothioamide

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

V012-3660

Molecular Formula

C22H23F2N3O4S (C22 H23 F2 N3 O4 S)

Compound Name

N-[4-(difluoromethoxy)phenyl]-9,10-dimethoxy-4-oxo-1H,2H,3H,4H,6H,7H,11bH-pyrazino[2,1-a]isoquinoline-2-carbothioamide

IUPAC name

N-[4-(difluoromethoxy)phenyl]-910-dimethoxy-4-oxo-1H2H3H4H6H7H11bH-pyrazino[21-a]isoquinoline-2-carbothioamide

SMILES

COc1cc(CCN(C2CN(C3)C(Nc(cc4)ccc4OC(F)F)=S)C3=O)c2cc1OC

InChI

InChI=1S/C22H23F2N3O4S/c1-29-18-9-13-7-8-27-17(16(13)10-19(18)30-2)11-26(12-20(27)28)22(32)25-14-3-5-15(6-4-14)31-21(23)24/h3-6,9-10,17,21H,7-8,11-12H2,1-2H3,(H,25,32)/t17-/m1/s1

InChI Key

DVEXTDDDTJZYCU-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD19966500

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.531

Distribution Coefficient, logD

2.531

Water Solubility, LogSw

-3.19

Polar Surface Area

49.111

Acid Dissociation Constant (pKa)

14.29

Base Dissociation Constant (pKb)

-0.30

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.40

V012-3660 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with V012-3660 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-3660?
Check Price and Availability of V012-3660, 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 V012-3660 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-3660
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-3660
  • 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 V012-3660 available by request