V009-0333 Screening compound: 2-(adamantane-1-carbonyl)-6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinoline

V009-0333 Screening compound: 2-(adamantane-1-carbonyl)-6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinoline
V009-0333 Screening compound: 2-(adamantane-1-carbonyl)-6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound V009-0333
2-(adamantane-1-carbonyl)-6,7-dimethoxy-1-phenyl-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

V009-0333

Molecular Formula

C28H33NO3 (C28 H33 NO3)

Compound Name

2-(adamantane-1-carbonyl)-6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinoline

IUPAC name

67-dimethoxy-1-phenyl-2-[(3R5S7s)-adamantane-1-carbonyl]-1234-tetrahydroisoquinoline

SMILES

COc1cc(CCN(C2c3ccccc3)C(C3(C[C@H](C4)C5)C[C@H]5C[C@H]4C3)=O)c2cc1OC

InChI

InChI=1S/C28H33NO3/c1-31-24-13-22-8-9-29(26(21-6-4-3-5-7-21)23(22)14-25(24)32-2)27(30)28-15-18-10-19(16-28)12-20(11-18)17-28/h3-7,13-14,18-20,26H,8-12,15-17H2,1-2H3/t18?,19?,20?,26-,28?/m0/s1

InChI Key

FPEKSGULXUOZBT-RAXRNYJGSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.57

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.911

Distribution Coefficient, logD

5.911

Water Solubility, LogSw

-5.62

Polar Surface Area

31.155

Acid Dissociation Constant (pKa)

24.12

Base Dissociation Constant (pKb)

-3.75

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

53.60

V009-0333 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with V009-0333 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V009-0333?
Check Price and Availability of V009-0333, 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 V009-0333 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V009-0333
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V009-0333
  • 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 V009-0333 available by request