Y042-8049 Screening compound: (2S)-2-({[6,7-dimethoxy-1-(4-methoxyphenyl)-3,4-dihydro-2(1H)-isoquinolinyl]carbonyl}amino)-3-methylbutanoic acid

Y042-8049 Screening compound: (2S)-2-({[6,7-dimethoxy-1-(4-methoxyphenyl)-3,4-dihydro-2(1H)-isoquinolinyl]carbonyl}amino)-3-methylbutanoic acid
Y042-8049 Screening compound: (2S)-2-({[6,7-dimethoxy-1-(4-methoxyphenyl)-3,4-dihydro-2(1H)-isoquinolinyl]carbonyl}amino)-3-methylbutanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y042-8049
(2S)-2-({[6,7-dimethoxy-1-(4-methoxyphenyl)-3,4-dihydro-2(1H)-isoquinolinyl]carbonyl}amino)-3-methylbutanoic 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

Y042-8049

Molecular Formula

C24H30N2O6 (C24 H30 N2 O6)

Compound Name

(2S)-2-({[6,7-dimethoxy-1-(4-methoxyphenyl)-3,4-dihydro-2(1H)-isoquinolinyl]carbonyl}amino)-3-methylbutanoic acid

IUPAC name

(2S)-2-{[67-dimethoxy-1-(4-methoxyphenyl)-1234-tetrahydroisoquinoline-2-carbonyl]amino}-3-methylbutanoic acid

SMILES

CC(C)C(C(O)=O)NC(N(CC1)C(c(cc2)ccc2OC)c(cc2OC)c1cc2OC)=O

InChI

InChI=1S/C24H30N2O6/c1-14(2)21(23(27)28)25-24(29)26-11-10-16-12-19(31-4)20(32-5)13-18(16)22(26)15-6-8-17(30-3)9-7-15/h6-9,12-14,21-22H,10-11H2,1-5H3,(H,25,29)(H,27,28)/t21-,22?/m0/s1

InChI Key

JLVUNZNHEDANQB-HMTLIYDFSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.169

Distribution Coefficient, logD

-1.071

Water Solubility, LogSw

-2.84

Polar Surface Area

76.841

Acid Dissociation Constant (pKa)

4.16

Base Dissociation Constant (pKb)

-2.41

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

41.67

Y042-8049 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with Y042-8049 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y042-8049?
Check Price and Availability of Y042-8049, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of Y042-8049 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y042-8049
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y042-8049
  • 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 Y042-8049 available by request