2081-1055 Screening compound: 3-bromo-N-(2-chloro-5-nitrophenyl)-4-methoxybenzamide

2081-1055 Screening compound: 3-bromo-N-(2-chloro-5-nitrophenyl)-4-methoxybenzamide
2081-1055 Screening compound: 3-bromo-N-(2-chloro-5-nitrophenyl)-4-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2081-1055
3-bromo-N-(2-chloro-5-nitrophenyl)-4-methoxybenzamide

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

2081-1055

Molecular Formula

C14H10BrClN2O4 (C14 H10 BrClN2 O4)

Compound Name

3-bromo-N-(2-chloro-5-nitrophenyl)-4-methoxybenzamide

IUPAC name

3-bromo-N-(2-chloro-5-nitrophenyl)-4-methoxybenzamide

SMILES

COc(ccc(C(Nc(cc(cc1)[N+]([O-])=O)c1Cl)=O)c1)c1Br

InChI

InChI=1S/C14H10BrClN2O4/c1-22-13-5-2-8(6-10(13)15)14(19)17-12-7-9(18(20)21)3-4-11(12)16/h2-7H,1H3,(H,17,19)

InChI Key

PBGSBOMACBWYSC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01145712

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.6

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.053

Distribution Coefficient, logD

2.741

Water Solubility, LogSw

-4.56

Polar Surface Area

63.644

Acid Dissociation Constant (pKa)

6.11

Base Dissociation Constant (pKb)

-5.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

2081-1055 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with 2081-1055 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2081-1055?
Check Price and Availability of 2081-1055, 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 2081-1055 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2081-1055
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2081-1055
  • 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 2081-1055 available by request