K781-0107 Screening compound: 3-nitro-4-(pyrrolidin-1-yl)benzoic acid

K781-0107 Screening compound: 3-nitro-4-(pyrrolidin-1-yl)benzoic acid
K781-0107 Screening compound: 3-nitro-4-(pyrrolidin-1-yl)benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound K781-0107
3-nitro-4-(pyrrolidin-1-yl)benzoic acid

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

K781-0107

Molecular Formula

C11H12N2O4 (C11 H12 N2 O4)

Compound Name

3-nitro-4-(pyrrolidin-1-yl)benzoic acid

IUPAC name

3-nitro-4-(pyrrolidin-1-yl)benzoic acid

SMILES

[O-][N+](c(cc(cc1)C(O)=O)c1N1CCCC1)=O

InChI

InChI=1S/C11H12N2O4/c14-11(15)8-3-4-9(10(7-8)13(16)17)12-5-1-2-6-12/h3-4,7H,1-2,5-6H2,(H,14,15)

InChI Key

MKTQASLRSMDHRE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02112810

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

236.23

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.440

Distribution Coefficient, logD

-0.380

Water Solubility, LogSw

-2.61

Polar Surface Area

65.245

Acid Dissociation Constant (pKa)

4.58

Base Dissociation Constant (pKb)

-2.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

K781-0107 in Drug Discovery

Included in Screening Libraries

Soluble Diversity Library (15920 compounds)

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 K781-0107 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K781-0107?
Check Price and Availability of K781-0107, 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 K781-0107 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K781-0107
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K781-0107
  • 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 K781-0107 available by request