V027-4991 Screening compound: N-(1-{2-[(2-fluorophenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl}propyl)-4-methoxybenzamide

V027-4991 Screening compound: N-(1-{2-[(2-fluorophenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl}propyl)-4-methoxybenzamide
V027-4991 Screening compound: N-(1-{2-[(2-fluorophenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl}propyl)-4-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V027-4991
N-(1-{2-[(2-fluorophenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl}propyl)-4-methoxybenzamide

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

V027-4991

Molecular Formula

C29H33FN2O4 (C29 H33 FN2 O4)

Compound Name

N-(1-{2-[(2-fluorophenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl}propyl)-4-methoxybenzamide

IUPAC name

N-(1-{2-[(2-fluorophenyl)methyl]-67-dimethoxy-1234-tetrahydroisoquinolin-1-yl}propyl)-4-methoxybenzamide

SMILES

CCC(C1N(Cc(cccc2)c2F)CCc(cc2OC)c1cc2OC)NC(c(cc1)ccc1OC)=O

InChI

InChI=1S/C29H33FN2O4/c1-5-25(31-29(33)19-10-12-22(34-2)13-11-19)28-23-17-27(36-4)26(35-3)16-20(23)14-15-32(28)18-21-8-6-7-9-24(21)30/h6-13,16-17,25,28H,5,14-15,18H2,1-4H3,(H,31,33)

InChI Key

YYGDSXJGVUWWAT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10459031

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

492.59

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.568

Distribution Coefficient, logD

4.513

Water Solubility, LogSw

-4.27

Polar Surface Area

50.231

Acid Dissociation Constant (pKa)

12.68

Base Dissociation Constant (pKb)

6.53

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

34.50

V027-4991 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with V027-4991 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V027-4991?
Check Price and Availability of V027-4991, 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 V027-4991 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V027-4991
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V027-4991
  • 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 V027-4991 available by request