0591-4972 Screening compound: ethyl 6-[(4-nitrophenyl)carbamoyl]pyridine-2-carboxylate

0591-4972 Screening compound: ethyl 6-[(4-nitrophenyl)carbamoyl]pyridine-2-carboxylate
0591-4972 Screening compound: ethyl 6-[(4-nitrophenyl)carbamoyl]pyridine-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0591-4972
ethyl 6-[(4-nitrophenyl)carbamoyl]pyridine-2-carboxylate

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

0591-4972

Molecular Formula

C15H13N3O5 (C15 H13 N3 O5)

Compound Name

ethyl 6-[(4-nitrophenyl)carbamoyl]pyridine-2-carboxylate

IUPAC name

ethyl 6-[(4-nitrophenyl)carbamoyl]pyridine-2-carboxylate

SMILES

CCOC(c1cccc(C(Nc(cc2)ccc2[N+]([O-])=O)=O)n1)=O

InChI

InChI=1S/C15H13N3O5/c1-2-23-15(20)13-5-3-4-12(17-13)14(19)16-10-6-8-11(9-7-10)18(21)22/h3-9H,2H2,1H3,(H,16,19)

InChI Key

ULCMKLIUBUMEAU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01535843

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

315.29

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.689

Distribution Coefficient, logD

2.518

Water Solubility, LogSw

-3.03

Polar Surface Area

86.081

Acid Dissociation Constant (pKa)

7.72

Base Dissociation Constant (pKb)

-1.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

0591-4972 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0591-4972 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0591-4972?
Check Price and Availability of 0591-4972, 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 0591-4972 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0591-4972
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0591-4972
  • 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 0591-4972 available by request