V002-8498 Screening compound: 1-(2-chloro-6-fluorophenyl)-N-(2,4-dimethoxyphenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-2-carboxamide

V002-8498 Screening compound: 1-(2-chloro-6-fluorophenyl)-N-(2,4-dimethoxyphenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-2-carboxamide
V002-8498 Screening compound: 1-(2-chloro-6-fluorophenyl)-N-(2,4-dimethoxyphenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V002-8498
1-(2-chloro-6-fluorophenyl)-N-(2,4-dimethoxyphenyl)-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

V002-8498

Molecular Formula

C26H26ClFN2O5 (C26 H26 ClFN2 O5)

Compound Name

1-(2-chloro-6-fluorophenyl)-N-(2,4-dimethoxyphenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-2-carboxamide

IUPAC name

1-(2-chloro-6-fluorophenyl)-N-(24-dimethoxyphenyl)-67-dimethoxy-1234-tetrahydroisoquinoline-2-carboxamide

SMILES

COc(cc1)cc(OC)c1NC(N(CCc(cc1OC)c2cc1OC)C2c(c(F)ccc1)c1Cl)=O

InChI

InChI=1S/C26H26ClFN2O5/c1-32-16-8-9-20(21(13-16)33-2)29-26(31)30-11-10-15-12-22(34-3)23(35-4)14-17(15)25(30)24-18(27)6-5-7-19(24)28/h5-9,12-14,25H,10-11H2,1-4H3,(H,29,31)/t25-/m0/s1

InChI Key

QTXQRUSIGNMDPO-VWLOTQADSA-N

MDL Number (MFCD)

MFCD19958062

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

500.95

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.902

Distribution Coefficient, logD

4.902

Water Solubility, LogSw

-5.05

Polar Surface Area

54.419

Acid Dissociation Constant (pKa)

13.04

Base Dissociation Constant (pKb)

-0.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.90

References: we are preparing a list of scientific research reports with V002-8498 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-8498?
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What is the minimum amount of V002-8498 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-8498
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-8498
  • 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 V002-8498 available by request