Y042-8059 Screening compound: 6-({[1-(4-fluorophenyl)-6,7-dimethoxy-3,4-dihydro-2(1H)-isoquinolinyl]carbonyl}amino)hexanoic acid

Y042-8059 Screening compound: 6-({[1-(4-fluorophenyl)-6,7-dimethoxy-3,4-dihydro-2(1H)-isoquinolinyl]carbonyl}amino)hexanoic acid
Y042-8059 Screening compound: 6-({[1-(4-fluorophenyl)-6,7-dimethoxy-3,4-dihydro-2(1H)-isoquinolinyl]carbonyl}amino)hexanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y042-8059
6-({[1-(4-fluorophenyl)-6,7-dimethoxy-3,4-dihydro-2(1H)-isoquinolinyl]carbonyl}amino)hexanoic 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

Y042-8059

Molecular Formula

C24H29FN2O5 (C24 H29 FN2 O5)

Compound Name

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

IUPAC name

6-{[1-(4-fluorophenyl)-67-dimethoxy-1234-tetrahydroisoquinoline-2-carbonyl]amino}hexanoic acid

SMILES

COc1cc(CCN(C2c(cc3)ccc3F)C(NCCCCCC(O)=O)=O)c2cc1OC

InChI

InChI=1S/C24H29FN2O5/c1-31-20-14-17-11-13-27(24(30)26-12-5-3-4-6-22(28)29)23(19(17)15-21(20)32-2)16-7-9-18(25)10-8-16/h7-10,14-15,23H,3-6,11-13H2,1-2H3,(H,26,30)(H,28,29)/t23-/m0/s1

InChI Key

DCOFTHLHAWEHIZ-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD08744763

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.204

Distribution Coefficient, logD

0.376

Water Solubility, LogSw

-3.27

Polar Surface Area

69.762

Acid Dissociation Constant (pKa)

4.57

Base Dissociation Constant (pKb)

-0.97

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.67

References: we are preparing a list of scientific research reports with Y042-8059 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y042-8059?
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What is the minimum amount of Y042-8059 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y042-8059
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y042-8059
  • 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 Y042-8059 available by request