8004-4739 Screening compound: methyl N-(5-bromopyridin-2-yl)carbamate

8004-4739 Screening compound: methyl N-(5-bromopyridin-2-yl)carbamate
8004-4739 Screening compound: methyl N-(5-bromopyridin-2-yl)carbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-4739
methyl N-(5-bromopyridin-2-yl)carbamate

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

8004-4739

Molecular Formula

C7H7BrN2O2 (C7 H7 BrN2 O2)

Compound Name

methyl N-(5-bromopyridin-2-yl)carbamate

IUPAC name

methyl N-(5-bromopyridin-2-yl)carbamate

SMILES

COC(Nc(cc1)ncc1Br)=O

InChI

InChI=1S/C7H7BrN2O2/c1-12-7(11)10-6-3-2-5(8)4-9-6/h2-4H,1H3,(H,9,10,11)

InChI Key

XYBRWUNZRUBCGY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00739213

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

231.05

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.212

Distribution Coefficient, logD

2.050

Water Solubility, LogSw

-2.82

Polar Surface Area

41.807

Acid Dissociation Constant (pKa)

7.74

Base Dissociation Constant (pKb)

1.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

8004-4739 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments
Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8004-4739 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-4739?
Check Price and Availability of 8004-4739, 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 8004-4739 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-4739
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-4739
  • 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 8004-4739 available by request