V006-0414 Screening compound: ethyl 5-{4-[2-methoxy-5-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)phenyl]piperazin-1-yl}-5-oxopentanoate

V006-0414 Screening compound: ethyl 5-{4-[2-methoxy-5-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)phenyl]piperazin-1-yl}-5-oxopentanoate
V006-0414 Screening compound: ethyl 5-{4-[2-methoxy-5-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)phenyl]piperazin-1-yl}-5-oxopentanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound V006-0414
ethyl 5-{4-[2-methoxy-5-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)phenyl]piperazin-1-yl}-5-oxopentanoate

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

V006-0414

Molecular Formula

C27H35N3O6S (C27 H35 N3 O6 S)

Compound Name

ethyl 5-{4-[2-methoxy-5-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)phenyl]piperazin-1-yl}-5-oxopentanoate

IUPAC name

ethyl 5-{4-[2-methoxy-5-(1234-tetrahydroisoquinoline-2-sulfonyl)phenyl]piperazin-1-yl}-5-oxopentanoate

SMILES

CCOC(CCCC(N(CC1)CCN1c(cc(cc1)S(N(CC2)Cc3c2cccc3)(=O)=O)c1OC)=O)=O

InChI

InChI=1S/C27H35N3O6S/c1-3-36-27(32)10-6-9-26(31)29-17-15-28(16-18-29)24-19-23(11-12-25(24)35-2)37(33,34)30-14-13-21-7-4-5-8-22(21)20-30/h4-5,7-8,11-12,19H,3,6,9-10,13-18,20H2,1-2H3

InChI Key

PCKXCJSTHQPEQD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19950392

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

529.66

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.523

Distribution Coefficient, logD

3.523

Water Solubility, LogSw

-3.88

Polar Surface Area

78.752

Acid Dissociation Constant (pKa)

22.88

Base Dissociation Constant (pKb)

4.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

48.10

References: we are preparing a list of scientific research reports with V006-0414 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V006-0414?
Check Price and Availability of V006-0414, 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 V006-0414 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V006-0414
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V006-0414
  • 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 V006-0414 available by request