H010-0016 Screening compound: 1-(2-formyl-4-nitrophenyl)pyrrolidine-2-carboxylic acid

H010-0016 Screening compound: 1-(2-formyl-4-nitrophenyl)pyrrolidine-2-carboxylic acid
H010-0016 Screening compound: 1-(2-formyl-4-nitrophenyl)pyrrolidine-2-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound H010-0016
1-(2-formyl-4-nitrophenyl)pyrrolidine-2-carboxylic 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

H010-0016

Molecular Formula

C12H12N2O5 (C12 H12 N2 O5)

Compound Name

1-(2-formyl-4-nitrophenyl)pyrrolidine-2-carboxylic acid

IUPAC name

(2S)-1-(2-formyl-4-nitrophenyl)pyrrolidine-2-carboxylic acid

SMILES

[O-][N+](c(cc1)cc(C=O)c1N(CCC1)C1C(O)=O)=O

InChI

InChI=1S/C12H12N2O5/c15-7-8-6-9(14(18)19)3-4-10(8)13-5-1-2-11(13)12(16)17/h3-4,6-7,11H,1-2,5H2,(H,16,17)/t11-/m0/s1

InChI Key

YTZMSIKLWXAGKF-NSHDSACASA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

264.24

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.712

Distribution Coefficient, logD

-2.943

Water Solubility, LogSw

-1.71

Polar Surface Area

79.399

Acid Dissociation Constant (pKa)

3.74

Base Dissociation Constant (pKb)

-4.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

H010-0016 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with H010-0016 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound H010-0016?
Check Price and Availability of H010-0016, 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 H010-0016 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for H010-0016
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for H010-0016
  • 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 H010-0016 available by request