4120-0171 Screening compound: ethyl 4-[(5-bromopyridin-3-yl)formamido]butanoate

4120-0171 Screening compound: ethyl 4-[(5-bromopyridin-3-yl)formamido]butanoate
4120-0171 Screening compound: ethyl 4-[(5-bromopyridin-3-yl)formamido]butanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4120-0171
ethyl 4-[(5-bromopyridin-3-yl)formamido]butanoate

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

4120-0171

Molecular Formula

C12H15BrN2O3 (C12 H15 BrN2 O3)

Compound Name

ethyl 4-[(5-bromopyridin-3-yl)formamido]butanoate

IUPAC name

ethyl 4-[(5-bromopyridin-3-yl)formamido]butanoate

SMILES

CCOC(CCCNC(c1cc(Br)cnc1)=O)=O

InChI

InChI=1S/C12H15BrN2O3/c1-2-18-11(16)4-3-5-15-12(17)9-6-10(13)8-14-7-9/h6-8H,2-5H2,1H3,(H,15,17)

InChI Key

GVUFOWYYJWCUKI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02050990

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

315.17

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.562

Distribution Coefficient, logD

1.562

Water Solubility, LogSw

-1.73

Polar Surface Area

54.531

Acid Dissociation Constant (pKa)

12.93

Base Dissociation Constant (pKb)

1.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

4120-0171 in Drug Discovery

Included in Screening Libraries

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4120-0171 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4120-0171?
Check Price and Availability of 4120-0171, 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 4120-0171 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4120-0171
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4120-0171
  • 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 4120-0171 available by request