V005-5504 Screening compound: ethyl 4-{[1-(2-chlorophenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-2-carbonyl]amino}benzoate

V005-5504 Screening compound: ethyl 4-{[1-(2-chlorophenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-2-carbonyl]amino}benzoate
V005-5504 Screening compound: ethyl 4-{[1-(2-chlorophenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-2-carbonyl]amino}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound V005-5504
ethyl 4-{[1-(2-chlorophenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-2-carbonyl]amino}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

V005-5504

Molecular Formula

C27H27ClN2O5 (C27 H27 ClN2 O5)

Compound Name

ethyl 4-{[1-(2-chlorophenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-2-carbonyl]amino}benzoate

IUPAC name

ethyl 4-{[1-(2-chlorophenyl)-67-dimethoxy-1234-tetrahydroisoquinoline-2-carbonyl]amino}benzoate

SMILES

CCOC(c(cc1)ccc1NC(N(CC1)C(c(cccc2)c2Cl)c(cc2OC)c1cc2OC)=O)=O

InChI

InChI=1S/C27H27ClN2O5/c1-4-35-26(31)17-9-11-19(12-10-17)29-27(32)30-14-13-18-15-23(33-2)24(34-3)16-21(18)25(30)20-7-5-6-8-22(20)28/h5-12,15-16,25H,4,13-14H2,1-3H3,(H,29,32)/t25-/m0/s1

InChI Key

QRGCVFXVFNKZLT-VWLOTQADSA-N

MDL Number (MFCD)

MFCD19958086

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.97

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.562

Distribution Coefficient, logD

5.562

Water Solubility, LogSw

-5.97

Polar Surface Area

60.697

Acid Dissociation Constant (pKa)

12.96

Base Dissociation Constant (pKb)

-3.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.90

References: we are preparing a list of scientific research reports with V005-5504 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V005-5504?
Check Price and Availability of V005-5504, 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 V005-5504 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V005-5504
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V005-5504
  • 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 V005-5504 available by request