Y040-2770 Screening compound: 2-[2-(2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)acetyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid

Y040-2770 Screening compound: 2-[2-(2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)acetyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
Y040-2770 Screening compound: 2-[2-(2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)acetyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-2770
2-[2-(2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)acetyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic 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

Y040-2770

Molecular Formula

C22H21N3O7 (C22 H21 N3 O7)

Compound Name

2-[2-(2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)acetyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid

IUPAC name

2-[2-(24-dioxo-1234-tetrahydroquinazolin-3-yl)acetyl]-67-dimethoxy-1234-tetrahydroisoquinoline-3-carboxylic acid

SMILES

COc1cc(CC(C(O)=O)N(C2)C(CN(C(c(cccc3)c3N3)=O)C3=O)=O)c2cc1OC

InChI

InChI=1S/C22H21N3O7/c1-31-17-8-12-7-16(21(28)29)24(10-13(12)9-18(17)32-2)19(26)11-25-20(27)14-5-3-4-6-15(14)23-22(25)30/h3-6,8-9,16H,7,10-11H2,1-2H3,(H,23,30)(H,28,29)/t16-/m0/s1

InChI Key

RVHDHUPSFAAQNR-INIZCTEOSA-N

MDL Number (MFCD)

MFCD12925876

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.42

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.018

Distribution Coefficient, logD

-2.656

Water Solubility, LogSw

-2.35

Polar Surface Area

99.898

Acid Dissociation Constant (pKa)

3.73

Base Dissociation Constant (pKb)

-2.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

Y040-2770 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

GPCR Targeted Library (31838 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

SH2 PTB Focused Library (6188 compounds)

Included in 1.7M Stock Database

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 Y040-2770 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-2770?
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What is the minimum amount of Y040-2770 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-2770
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-2770
  • 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 Y040-2770 available by request