G856-3639 Screening compound: 2-chloro-N-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-5-nitrobenzamide

G856-3639 Screening compound: 2-chloro-N-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-5-nitrobenzamide
G856-3639 Screening compound: 2-chloro-N-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-5-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G856-3639
2-chloro-N-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-5-nitrobenzamide

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

G856-3639

Molecular Formula

C13H11ClN4O5 (C13 H11 ClN4 O5)

Compound Name

2-chloro-N-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-5-nitrobenzamide

IUPAC name

2-chloro-N-(13-dimethyl-26-dioxo-1236-tetrahydropyrimidin-4-yl)-5-nitrobenzamide

SMILES

CN(C(C=C(NC(c(cc(cc1)[N+]([O-])=O)c1Cl)=O)N1C)=O)C1=O

InChI

InChI=1S/C13H11ClN4O5/c1-16-10(6-11(19)17(2)13(16)21)15-12(20)8-5-7(18(22)23)3-4-9(8)14/h3-6H,1-2H3,(H,15,20)

InChI Key

AYELVTROQYHWJS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01342609

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.71

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.362

Distribution Coefficient, logD

-0.377

Water Solubility, LogSw

-3.03

Polar Surface Area

87.715

Acid Dissociation Constant (pKa)

5.67

Base Dissociation Constant (pKb)

-7.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

G856-3639 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with G856-3639 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G856-3639?
Check Price and Availability of G856-3639, 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 G856-3639 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G856-3639
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G856-3639
  • 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 G856-3639 available by request