2125-0541 Screening compound: N-(6-bromo-2-oxo-2H-chromen-3-yl)-4-nitrobenzamide

2125-0541 Screening compound: N-(6-bromo-2-oxo-2H-chromen-3-yl)-4-nitrobenzamide
2125-0541 Screening compound: N-(6-bromo-2-oxo-2H-chromen-3-yl)-4-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2125-0541
N-(6-bromo-2-oxo-2H-chromen-3-yl)-4-nitrobenzamide

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

2125-0541

Molecular Formula

C16H9BrN2O5 (C16 H9 BrN2 O5)

Compound Name

N-(6-bromo-2-oxo-2H-chromen-3-yl)-4-nitrobenzamide

IUPAC name

N-(6-bromo-2-oxo-2H-chromen-3-yl)-4-nitrobenzamide

SMILES

[O-][N+](c(cc1)ccc1C(NC1=Cc(cc(cc2)Br)c2OC1=O)=O)=O

InChI

InChI=1S/C16H9BrN2O5/c17-11-3-6-14-10(7-11)8-13(16(21)24-14)18-15(20)9-1-4-12(5-2-9)19(22)23/h1-8H,(H,18,20)

InChI Key

SSOOMOCVLSZGOB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01032436

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.16

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

3.367

Distribution Coefficient, logD

3.313

Water Solubility, LogSw

-3.85

Polar Surface Area

78.596

Acid Dissociation Constant (pKa)

8.28

Base Dissociation Constant (pKb)

1.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

2125-0541 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with 2125-0541 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2125-0541?
Check Price and Availability of 2125-0541, 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 2125-0541 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2125-0541
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2125-0541
  • 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 2125-0541 available by request