6049-0393 Screening compound: 1-methyl-4-nitro-N-(1-oxo-1,3-dihydro-2-benzofuran-5-yl)-1H-pyrazole-5-carboxamide

6049-0393 Screening compound: 1-methyl-4-nitro-N-(1-oxo-1,3-dihydro-2-benzofuran-5-yl)-1H-pyrazole-5-carboxamide
6049-0393 Screening compound: 1-methyl-4-nitro-N-(1-oxo-1,3-dihydro-2-benzofuran-5-yl)-1H-pyrazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6049-0393
1-methyl-4-nitro-N-(1-oxo-1,3-dihydro-2-benzofuran-5-yl)-1H-pyrazole-5-carboxamide

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

6049-0393

Molecular Formula

C13H10N4O5 (C13 H10 N4 O5)

Compound Name

1-methyl-4-nitro-N-(1-oxo-1,3-dihydro-2-benzofuran-5-yl)-1H-pyrazole-5-carboxamide

IUPAC name

1-methyl-4-nitro-N-(1-oxo-13-dihydro-2-benzofuran-5-yl)-1H-pyrazole-5-carboxamide

SMILES

Cn1ncc([N+]([O-])=O)c1C(Nc(cc1)cc(CO2)c1C2=O)=O

InChI

InChI=1S/C13H10N4O5/c1-16-11(10(5-14-16)17(20)21)12(18)15-8-2-3-9-7(4-8)6-22-13(9)19/h2-5H,6H2,1H3,(H,15,18)

InChI Key

HMEBWMJQZURWHZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03466673

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

302.25

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.647

Distribution Coefficient, logD

0.041

Water Solubility, LogSw

-2.31

Polar Surface Area

92.498

Acid Dissociation Constant (pKa)

6.92

Base Dissociation Constant (pKb)

-2.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

6049-0393 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 6049-0393 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6049-0393?
Check Price and Availability of 6049-0393, 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 6049-0393 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6049-0393
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6049-0393
  • 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 6049-0393 available by request