Y040-3097 Screening compound: 2-[3-(1H-INDOL-3-YL)PROPANOYL]-6,7-DIMETHOXY-1,2,3,4-TETRAHYDRO-3-ISOQUINOLINECARBOXYLIC ACID

Y040-3097 Screening compound: 2-[3-(1H-INDOL-3-YL)PROPANOYL]-6,7-DIMETHOXY-1,2,3,4-TETRAHYDRO-3-ISOQUINOLINECARBOXYLIC ACID
Y040-3097 Screening compound: 2-[3-(1H-INDOL-3-YL)PROPANOYL]-6,7-DIMETHOXY-1,2,3,4-TETRAHYDRO-3-ISOQUINOLINECARBOXYLIC ACID alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-3097
2-[3-(1H-INDOL-3-YL)PROPANOYL]-6,7-DIMETHOXY-1,2,3,4-TETRAHYDRO-3-ISOQUINOLINECARBOXYLIC 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

Y040-3097

Molecular Formula

C23H24N2O5 (C23 H24 N2 O5)

Compound Name

2-[3-(1H-INDOL-3-YL)PROPANOYL]-6,7-DIMETHOXY-1,2,3,4-TETRAHYDRO-3-ISOQUINOLINECARBOXYLIC ACID

IUPAC name

n/a

SMILES

COc1cc(CC(C(O)=O)N(C2)C(CCc3c[nH]c4c3cccc4)=O)c2cc1OC

InChI

InChI=1S/C23H24N2O5/c1-29-20-10-15-9-19(23(27)28)25(13-16(15)11-21(20)30-2)22(26)8-7-14-12-24-18-6-4-3-5-17(14)18/h3-6,10-12,19,24H,7-9,13H2,1-2H3,(H,27,28)/t19-/m0/s1

InChI Key

VYPZDXUVRGZVSW-IBGZPJMESA-N

MDL Number (MFCD)

MFCD12925900

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.450

Distribution Coefficient, logD

-1.183

Water Solubility, LogSw

-2.75

Polar Surface Area

69.255

Acid Dissociation Constant (pKa)

3.77

Base Dissociation Constant (pKb)

-3.35

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.40

Y040-3097 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

GPCR Targeted Library (31838 compounds)

Indole Derivatives (10091 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

SH2 PTB Focused Library (6188 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
  • Cyclic compounds
Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with Y040-3097 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-3097?
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What is the minimum amount of Y040-3097 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-3097
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-3097
  • 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 Y040-3097 available by request