V027-6646 Screening compound: 1-({[(isopropylamino)carbonyl]amino}methyl)-6,7-dimethoxy-N~2~-(3-methylphenyl)-3,4-dihydro-2(1H)-isoquinolinecarboxamide

V027-6646 Screening compound: 1-({[(isopropylamino)carbonyl]amino}methyl)-6,7-dimethoxy-N~2~-(3-methylphenyl)-3,4-dihydro-2(1H)-isoquinolinecarboxamide
V027-6646 Screening compound: 1-({[(isopropylamino)carbonyl]amino}methyl)-6,7-dimethoxy-N~2~-(3-methylphenyl)-3,4-dihydro-2(1H)-isoquinolinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V027-6646
1-({[(isopropylamino)carbonyl]amino}methyl)-6,7-dimethoxy-N~2~-(3-methylphenyl)-3,4-dihydro-2(1H)-isoquinolinecarboxamide

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

V027-6646

Molecular Formula

C24H32N4O4 (C24 H32 N4 O4)

Compound Name

1-({[(isopropylamino)carbonyl]amino}methyl)-6,7-dimethoxy-N~2~-(3-methylphenyl)-3,4-dihydro-2(1H)-isoquinolinecarboxamide

IUPAC name

67-dimethoxy-N-(3-methylphenyl)-1-({[(propan-2-yl)carbamoyl]amino}methyl)-1234-tetrahydroisoquinoline-2-carboxamide

SMILES

CC(C)NC(NCC(c(cc1OC)c(CC2)cc1OC)N2C(Nc1cc(C)ccc1)=O)=O

InChI

InChI=1S/C24H32N4O4/c1-15(2)26-23(29)25-14-20-19-13-22(32-5)21(31-4)12-17(19)9-10-28(20)24(30)27-18-8-6-7-16(3)11-18/h6-8,11-13,15,20H,9-10,14H2,1-5H3,(H,27,30)(H2,25,26,29)/t20-/m0/s1

InChI Key

MDUONXNAVHMLPA-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD19823503

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.940

Distribution Coefficient, logD

2.940

Water Solubility, LogSw

-3.33

Polar Surface Area

74.360

Acid Dissociation Constant (pKa)

14.43

Base Dissociation Constant (pKb)

2.96

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.67

V027-6646 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V027-6646 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V027-6646?
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What is the minimum amount of V027-6646 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V027-6646
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V027-6646
  • 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 V027-6646 available by request