C612-1133 Screening compound: {3-[(5-bromopyridin-2-yl)carbamoyl]pyrazin-2-yl}methyl N-[(2-methoxyphenyl)methyl]carbamate

C612-1133 Screening compound: {3-[(5-bromopyridin-2-yl)carbamoyl]pyrazin-2-yl}methyl N-[(2-methoxyphenyl)methyl]carbamate
C612-1133 Screening compound: {3-[(5-bromopyridin-2-yl)carbamoyl]pyrazin-2-yl}methyl N-[(2-methoxyphenyl)methyl]carbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound C612-1133
{3-[(5-bromopyridin-2-yl)carbamoyl]pyrazin-2-yl}methyl N-[(2-methoxyphenyl)methyl]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

C612-1133

Molecular Formula

C20H18BrN5O4 (C20 H18 BrN5 O4)

Compound Name

{3-[(5-bromopyridin-2-yl)carbamoyl]pyrazin-2-yl}methyl N-[(2-methoxyphenyl)methyl]carbamate

IUPAC name

{3-[(5-bromopyridin-2-yl)carbamoyl]pyrazin-2-yl}methyl N-[(2-methoxyphenyl)methyl]carbamate

SMILES

COc1c(CNC(OCc2nccnc2C(Nc(cc2)ncc2Br)=O)=O)cccc1

InChI

InChI=1S/C20H18BrN5O4/c1-29-16-5-3-2-4-13(16)10-25-20(28)30-12-15-18(23-9-8-22-15)19(27)26-17-7-6-14(21)11-24-17/h2-9,11H,10,12H2,1H3,(H,25,28)(H,24,26,27)

InChI Key

SPELSVLAPMTYJY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14775896

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.3

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.369

Distribution Coefficient, logD

2.158

Water Solubility, LogSw

-3.38

Polar Surface Area

93.666

Acid Dissociation Constant (pKa)

6.22

Base Dissociation Constant (pKb)

1.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

C612-1133 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Proteases
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C612-1133 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C612-1133?
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What is the minimum amount of C612-1133 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C612-1133
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C612-1133
  • 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 C612-1133 available by request