3610-1249 Screening compound: N-cyclopropyl-5-[4-(furan-2-carbonyl)piperazin-1-yl]-2-nitroaniline

3610-1249 Screening compound: N-cyclopropyl-5-[4-(furan-2-carbonyl)piperazin-1-yl]-2-nitroaniline
3610-1249 Screening compound: N-cyclopropyl-5-[4-(furan-2-carbonyl)piperazin-1-yl]-2-nitroaniline alternative view

Chemical Structure Depiction of ChemDiv screening compound 3610-1249
N-cyclopropyl-5-[4-(furan-2-carbonyl)piperazin-1-yl]-2-nitroaniline

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

3610-1249

Molecular Formula

C18H20N4O4 (C18 H20 N4 O4)

Compound Name

N-cyclopropyl-5-[4-(furan-2-carbonyl)piperazin-1-yl]-2-nitroaniline

IUPAC name

N-cyclopropyl-5-[4-(furan-2-carbonyl)piperazin-1-yl]-2-nitroaniline

SMILES

[O-][N+](c(ccc(N(CC1)CCN1C(c1ccco1)=O)c1)c1NC1CC1)=O

InChI

InChI=1S/C18H20N4O4/c23-18(17-2-1-11-26-17)21-9-7-20(8-10-21)14-5-6-16(22(24)25)15(12-14)19-13-3-4-13/h1-2,5-6,11-13,19H,3-4,7-10H2

InChI Key

SHUCPGOHJQGCLO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02222101

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.38

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.456

Distribution Coefficient, logD

2.456

Water Solubility, LogSw

-2.88

Polar Surface Area

71.399

Acid Dissociation Constant (pKa)

16.26

Base Dissociation Constant (pKb)

0.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.90

3610-1249 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3610-1249 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3610-1249?
Check Price and Availability of 3610-1249, 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 3610-1249 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3610-1249
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3610-1249
  • 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 3610-1249 available by request