D170-0210 Screening compound: 4-(6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-2-yl)-4-oxobutanoic acid

D170-0210 Screening compound: 4-(6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-2-yl)-4-oxobutanoic acid
D170-0210 Screening compound: 4-(6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-2-yl)-4-oxobutanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound D170-0210
4-(6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-2-yl)-4-oxobutanoic acid

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

D170-0210

Molecular Formula

C16H21NO5 (C16 H21 NO5)

Compound Name

4-(6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-2-yl)-4-oxobutanoic acid

IUPAC name

4-(67-dimethoxy-1-methyl-1234-tetrahydroisoquinolin-2-yl)-4-oxobutanoic acid

SMILES

CC(c(cc1OC)c(CC2)cc1OC)N2C(CCC(O)=O)=O

InChI

InChI=1S/C16H21NO5/c1-10-12-9-14(22-3)13(21-2)8-11(12)6-7-17(10)15(18)4-5-16(19)20/h8-10H,4-7H2,1-3H3,(H,19,20)/t10-/m0/s1

InChI Key

HBUAYNBDEBEVJW-JTQLQIEISA-N

MDL Number (MFCD)

MFCD02679556

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

307.35

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.645

Distribution Coefficient, logD

-2.305

Water Solubility, LogSw

-0.95

Polar Surface Area

59.113

Acid Dissociation Constant (pKa)

4.45

Base Dissociation Constant (pKb)

5.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

D170-0210 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Arginase Targeted Library (2009 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Male
  • Cardiovascular
Targets:
  • Others

References: we are preparing a list of scientific research reports with D170-0210 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D170-0210?
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What is the minimum amount of D170-0210 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D170-0210
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D170-0210
  • 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 D170-0210 available by request