V001-5205 Screening compound: 2-{4-methoxy-3-[4-(5-nitrofuran-2-carbonyl)piperazin-1-yl]benzenesulfonyl}-1,2,3,4-tetrahydroisoquinoline

V001-5205 Screening compound: 2-{4-methoxy-3-[4-(5-nitrofuran-2-carbonyl)piperazin-1-yl]benzenesulfonyl}-1,2,3,4-tetrahydroisoquinoline
V001-5205 Screening compound: 2-{4-methoxy-3-[4-(5-nitrofuran-2-carbonyl)piperazin-1-yl]benzenesulfonyl}-1,2,3,4-tetrahydroisoquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound V001-5205
2-{4-methoxy-3-[4-(5-nitrofuran-2-carbonyl)piperazin-1-yl]benzenesulfonyl}-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

V001-5205

Molecular Formula

C25H26N4O7S (C25 H26 N4 O7 S)

Compound Name

2-{4-methoxy-3-[4-(5-nitrofuran-2-carbonyl)piperazin-1-yl]benzenesulfonyl}-1,2,3,4-tetrahydroisoquinoline

IUPAC name

2-{4-methoxy-3-[4-(5-nitrofuran-2-carbonyl)piperazin-1-yl]benzenesulfonyl}-1234-tetrahydroisoquinoline

SMILES

COc(ccc(S(N(CC1)Cc2c1cccc2)(=O)=O)c1)c1N(CC1)CCN1C(c1ccc([N+]([O-])=O)o1)=O

InChI

InChI=1S/C25H26N4O7S/c1-35-22-7-6-20(37(33,34)28-11-10-18-4-2-3-5-19(18)17-28)16-21(22)26-12-14-27(15-13-26)25(30)23-8-9-24(36-23)29(31)32/h2-9,16H,10-15,17H2,1H3

InChI Key

NKQFKOICRISRFL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19950429

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

526.57

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

3.652

Distribution Coefficient, logD

3.652

Water Solubility, LogSw

-3.94

Polar Surface Area

101.510

Acid Dissociation Constant (pKa)

25.79

Base Dissociation Constant (pKb)

1.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

References: we are preparing a list of scientific research reports with V001-5205 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V001-5205?
Check Price and Availability of V001-5205, 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 V001-5205 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V001-5205
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V001-5205
  • 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 V001-5205 available by request