K407-0565 Screening compound: ethyl 4-{[2-(adamantane-1-carbonyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}benzoate

K407-0565 Screening compound: ethyl 4-{[2-(adamantane-1-carbonyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}benzoate
K407-0565 Screening compound: ethyl 4-{[2-(adamantane-1-carbonyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound K407-0565
ethyl 4-{[2-(adamantane-1-carbonyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}benzoate

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

K407-0565

Molecular Formula

C32H39NO6 (C32 H39 NO6)

Compound Name

ethyl 4-{[2-(adamantane-1-carbonyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}benzoate

IUPAC name

ethyl 4-{[2-(adamantane-1-carbonyl)-67-dimethoxy-1234-tetrahydroisoquinolin-1-yl]methoxy}benzoate

SMILES

CCOC(c(cc1)ccc1OCC(c(cc1OC)c(CC2)cc1OC)N2C(C1(CC(C2)C3)CC3CC2C1)=O)=O

InChI

InChI=1S/C32H39NO6/c1-4-38-30(34)23-5-7-25(8-6-23)39-19-27-26-15-29(37-3)28(36-2)14-24(26)9-10-33(27)31(35)32-16-20-11-21(17-32)13-22(12-20)18-32/h5-8,14-15,20-22,27H,4,9-13,16-19H2,1-3H3/t20?,21?,22?,27-,32?/m0/s1

InChI Key

DUMJHTRDRDWPAR-IALHBCRKSA-N

MDL Number (MFCD)

MFCD04412298

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

533.66

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.461

Distribution Coefficient, logD

6.461

Water Solubility, LogSw

-5.72

Polar Surface Area

59.361

Acid Dissociation Constant (pKa)

24.62

Base Dissociation Constant (pKb)

-1.11

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

56.30

K407-0565 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 K407-0565 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K407-0565?
Check Price and Availability of K407-0565, 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 K407-0565 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K407-0565
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K407-0565
  • 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 K407-0565 available by request