6049-1589 Screening compound: butyl 4-(pyrazine-2-amido)benzoate

6049-1589 Screening compound: butyl 4-(pyrazine-2-amido)benzoate
6049-1589 Screening compound: butyl 4-(pyrazine-2-amido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6049-1589
butyl 4-(pyrazine-2-amido)benzoate

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

6049-1589

Molecular Formula

C16H17N3O3 (C16 H17 N3 O3)

Compound Name

butyl 4-(pyrazine-2-amido)benzoate

IUPAC name

butyl 4-(pyrazine-2-amido)benzoate

SMILES

CCCCOC(c(cc1)ccc1NC(c1nccnc1)=O)=O

InChI

InChI=1S/C16H17N3O3/c1-2-3-10-22-16(21)12-4-6-13(7-5-12)19-15(20)14-11-17-8-9-18-14/h4-9,11H,2-3,10H2,1H3,(H,19,20)

InChI Key

DHVJHVZEMKOIIF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03366583

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

299.33

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.893

Distribution Coefficient, logD

2.884

Water Solubility, LogSw

-3.18

Polar Surface Area

62.943

Acid Dissociation Constant (pKa)

9.04

Base Dissociation Constant (pKb)

-1.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

6049-1589 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Dark Chemical Matter Library (18430 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 6049-1589 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6049-1589?
Check Price and Availability of 6049-1589, 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 6049-1589 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6049-1589
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6049-1589
  • 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 6049-1589 available by request