5875-2451 Screening compound: 2-{5-[4-(furan-2-carbonyl)piperazin-1-yl]-2-nitrophenyl}-1,2,3,4-tetrahydroisoquinoline

5875-2451 Screening compound: 2-{5-[4-(furan-2-carbonyl)piperazin-1-yl]-2-nitrophenyl}-1,2,3,4-tetrahydroisoquinoline
5875-2451 Screening compound: 2-{5-[4-(furan-2-carbonyl)piperazin-1-yl]-2-nitrophenyl}-1,2,3,4-tetrahydroisoquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound 5875-2451
2-{5-[4-(furan-2-carbonyl)piperazin-1-yl]-2-nitrophenyl}-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

5875-2451

Molecular Formula

C24H24N4O4 (C24 H24 N4 O4)

Compound Name

2-{5-[4-(furan-2-carbonyl)piperazin-1-yl]-2-nitrophenyl}-1,2,3,4-tetrahydroisoquinoline

IUPAC name

2-{5-[4-(furan-2-carbonyl)piperazin-1-yl]-2-nitrophenyl}-1234-tetrahydroisoquinoline

SMILES

[O-][N+](c(ccc(N(CC1)CCN1C(c1ccco1)=O)c1)c1N(CC1)Cc2c1cccc2)=O

InChI

InChI=1S/C24H24N4O4/c29-24(23-6-3-15-32-23)26-13-11-25(12-14-26)20-7-8-21(28(30)31)22(16-20)27-10-9-18-4-1-2-5-19(18)17-27/h1-8,15-16H,9-14,17H2

InChI Key

MCQUWVIEGSISNY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03690325

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.817

Distribution Coefficient, logD

3.817

Water Solubility, LogSw

-4.11

Polar Surface Area

64.619

Acid Dissociation Constant (pKa)

24.70

Base Dissociation Constant (pKb)

0.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

5875-2451 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 5875-2451 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5875-2451?
Check Price and Availability of 5875-2451, 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 5875-2451 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5875-2451
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5875-2451
  • 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 5875-2451 available by request