D145-2441 Screening compound: methyl 4-{6,7-diethoxy-1-[4-(methoxycarbonyl)phenyl]-3-oxo-1,2,3,4-tetrahydroisoquinolin-2-yl}benzoate

D145-2441 Screening compound: methyl 4-{6,7-diethoxy-1-[4-(methoxycarbonyl)phenyl]-3-oxo-1,2,3,4-tetrahydroisoquinolin-2-yl}benzoate
D145-2441 Screening compound: methyl 4-{6,7-diethoxy-1-[4-(methoxycarbonyl)phenyl]-3-oxo-1,2,3,4-tetrahydroisoquinolin-2-yl}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D145-2441
methyl 4-{6,7-diethoxy-1-[4-(methoxycarbonyl)phenyl]-3-oxo-1,2,3,4-tetrahydroisoquinolin-2-yl}benzoate

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

D145-2441

Molecular Formula

C29H29NO7 (C29 H29 NO7)

Compound Name

methyl 4-{6,7-diethoxy-1-[4-(methoxycarbonyl)phenyl]-3-oxo-1,2,3,4-tetrahydroisoquinolin-2-yl}benzoate

IUPAC name

methyl 4-{67-diethoxy-1-[4-(methoxycarbonyl)phenyl]-3-oxo-1234-tetrahydroisoquinolin-2-yl}benzoate

SMILES

CCOc1cc(CC(N(C2c(cc3)ccc3C(OC)=O)c(cc3)ccc3C(OC)=O)=O)c2cc1OCC

InChI

InChI=1S/C29H29NO7/c1-5-36-24-15-21-16-26(31)30(22-13-11-20(12-14-22)29(33)35-4)27(23(21)17-25(24)37-6-2)18-7-9-19(10-8-18)28(32)34-3/h7-15,17,27H,5-6,16H2,1-4H3/t27-/m0/s1

InChI Key

GYHPELCUUBOZMM-MHZLTWQESA-N

MDL Number (MFCD)

MFCD14812601

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

503.55

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.454

Distribution Coefficient, logD

4.454

Water Solubility, LogSw

-4.41

Polar Surface Area

72.086

Acid Dissociation Constant (pKa)

15.38

Base Dissociation Constant (pKb)

-6.96

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.60

References: we are preparing a list of scientific research reports with D145-2441 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D145-2441?
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What is the minimum amount of D145-2441 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D145-2441
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D145-2441
  • 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 D145-2441 available by request