V021-5168 Screening compound: 2-cyclopentanecarbonyl-7-({5-[4-(2-methoxyethyl)piperazine-1-carbonyl]furan-2-yl}methoxy)-1-(3-methylphenyl)-1,2,3,4-tetrahydroisoquinoline

V021-5168 Screening compound: 2-cyclopentanecarbonyl-7-({5-[4-(2-methoxyethyl)piperazine-1-carbonyl]furan-2-yl}methoxy)-1-(3-methylphenyl)-1,2,3,4-tetrahydroisoquinoline
V021-5168 Screening compound: 2-cyclopentanecarbonyl-7-({5-[4-(2-methoxyethyl)piperazine-1-carbonyl]furan-2-yl}methoxy)-1-(3-methylphenyl)-1,2,3,4-tetrahydroisoquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-5168
2-cyclopentanecarbonyl-7-({5-[4-(2-methoxyethyl)piperazine-1-carbonyl]furan-2-yl}methoxy)-1-(3-methylphenyl)-1,2,3,4-tetrahydroisoquinoline

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

V021-5168

Molecular Formula

C35H43N3O5 (C35 H43 N3 O5)

Compound Name

2-cyclopentanecarbonyl-7-({5-[4-(2-methoxyethyl)piperazine-1-carbonyl]furan-2-yl}methoxy)-1-(3-methylphenyl)-1,2,3,4-tetrahydroisoquinoline

IUPAC name

2-cyclopentanecarbonyl-7-({5-[4-(2-methoxyethyl)piperazine-1-carbonyl]furan-2-yl}methoxy)-1-(3-methylphenyl)-1234-tetrahydroisoquinoline

SMILES

Cc1cccc(C(c2c(CC3)ccc(OCc4ccc(C(N5CCN(CCOC)CC5)=O)o4)c2)N3C(C2CCCC2)=O)c1

InChI

InChI=1S/C35H43N3O5/c1-25-6-5-9-28(22-25)33-31-23-29(11-10-26(31)14-15-38(33)34(39)27-7-3-4-8-27)42-24-30-12-13-32(43-30)35(40)37-18-16-36(17-19-37)20-21-41-2/h5-6,9-13,22-23,27,33H,3-4,7-8,14-21,24H2,1-2H3/t33-/m0/s1

InChI Key

PLLYJDQKPPDLFP-XIFFEERXSA-N

MDL Number (MFCD)

MFCD19918092

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

585.74

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.642

Distribution Coefficient, logD

5.620

Water Solubility, LogSw

-5.34

Polar Surface Area

60.269

Acid Dissociation Constant (pKa)

22.03

Base Dissociation Constant (pKb)

6.11

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

48.60

V021-5168 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Antibacterial Compounds Library (13827 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Infections
  • Immune system
  • animal
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with V021-5168 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-5168?
Check Price and Availability of V021-5168, 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 V021-5168 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-5168
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-5168
  • 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 V021-5168 available by request