V028-0211 Screening compound: 6,7-dimethoxy-N-(2-methoxyphenyl)-1-({[(4-methylphenyl)carbamoyl]amino}methyl)-1,2,3,4-tetrahydroisoquinoline-2-carboxamide

V028-0211 Screening compound: 6,7-dimethoxy-N-(2-methoxyphenyl)-1-({[(4-methylphenyl)carbamoyl]amino}methyl)-1,2,3,4-tetrahydroisoquinoline-2-carboxamide
V028-0211 Screening compound: 6,7-dimethoxy-N-(2-methoxyphenyl)-1-({[(4-methylphenyl)carbamoyl]amino}methyl)-1,2,3,4-tetrahydroisoquinoline-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-0211
6,7-dimethoxy-N-(2-methoxyphenyl)-1-({[(4-methylphenyl)carbamoyl]amino}methyl)-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

V028-0211

Molecular Formula

C28H32N4O5 (C28 H32 N4 O5)

Compound Name

6,7-dimethoxy-N-(2-methoxyphenyl)-1-({[(4-methylphenyl)carbamoyl]amino}methyl)-1,2,3,4-tetrahydroisoquinoline-2-carboxamide

IUPAC name

67-dimethoxy-N-(2-methoxyphenyl)-1-({[(4-methylphenyl)carbamoyl]amino}methyl)-1234-tetrahydroisoquinoline-2-carboxamide

SMILES

Cc(cc1)ccc1NC(NCC(c(cc1OC)c(CC2)cc1OC)N2C(Nc(cccc1)c1OC)=O)=O

InChI

InChI=1S/C28H32N4O5/c1-18-9-11-20(12-10-18)30-27(33)29-17-23-21-16-26(37-4)25(36-3)15-19(21)13-14-32(23)28(34)31-22-7-5-6-8-24(22)35-2/h5-12,15-16,23H,13-14,17H2,1-4H3,(H,31,34)(H2,29,30,33)/t23-/m0/s1

InChI Key

PNWVQRMJVYWDMM-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD19823513

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

504.59

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.406

Distribution Coefficient, logD

4.406

Water Solubility, LogSw

-4.23

Polar Surface Area

80.724

Acid Dissociation Constant (pKa)

12.80

Base Dissociation Constant (pKb)

1.17

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

V028-0211 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 V028-0211 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-0211?
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What is the minimum amount of V028-0211 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-0211
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-0211
  • 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 V028-0211 available by request