V003-9786 Screening compound: 2-cyclopropanecarbonyl-7-({5-[4-(2-methoxyethyl)piperazine-1-carbonyl]furan-2-yl}methoxy)-1-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinoline

V003-9786 Screening compound: 2-cyclopropanecarbonyl-7-({5-[4-(2-methoxyethyl)piperazine-1-carbonyl]furan-2-yl}methoxy)-1-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinoline
V003-9786 Screening compound: 2-cyclopropanecarbonyl-7-({5-[4-(2-methoxyethyl)piperazine-1-carbonyl]furan-2-yl}methoxy)-1-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-9786
2-cyclopropanecarbonyl-7-({5-[4-(2-methoxyethyl)piperazine-1-carbonyl]furan-2-yl}methoxy)-1-(4-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

V003-9786

Molecular Formula

C33H39N3O5 (C33 H39 N3 O5)

Compound Name

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

IUPAC name

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

SMILES

Cc1ccc(C(c2c(CC3)ccc(OCc4ccc(C(N5CCN(CCOC)CC5)=O)o4)c2)N3C(C2CC2)=O)cc1

InChI

InChI=1S/C33H39N3O5/c1-23-3-5-25(6-4-23)31-29-21-27(10-9-24(29)13-14-36(31)32(37)26-7-8-26)40-22-28-11-12-30(41-28)33(38)35-17-15-34(16-18-35)19-20-39-2/h3-6,9-12,21,26,31H,7-8,13-20,22H2,1-2H3/t31-/m0/s1

InChI Key

GTDCGHPWNJNHDB-HKBQPEDESA-N

MDL Number (MFCD)

MFCD19917972

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

557.69

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

4.744

Distribution Coefficient, logD

4.722

Water Solubility, LogSw

-4.54

Polar Surface Area

60.235

Acid Dissociation Constant (pKa)

22.07

Base Dissociation Constant (pKb)

6.11

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.50

V003-9786 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with V003-9786 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-9786?
Check Price and Availability of V003-9786, 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 V003-9786 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-9786
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-9786
  • 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 V003-9786 available by request