C248-0075 Screening compound: (E)-N,N-dimethyl-N'-{1,3,7-trimethyl-2,4-dioxo-1H,2H,3H,4H-benzo[g]pteridin-8-yl}methanimidamide

C248-0075 Screening compound: (E)-N,N-dimethyl-N'-{1,3,7-trimethyl-2,4-dioxo-1H,2H,3H,4H-benzo[g]pteridin-8-yl}methanimidamide
C248-0075 Screening compound: (E)-N,N-dimethyl-N'-{1,3,7-trimethyl-2,4-dioxo-1H,2H,3H,4H-benzo[g]pteridin-8-yl}methanimidamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C248-0075
(E)-N,N-dimethyl-N'-{1,3,7-trimethyl-2,4-dioxo-1H,2H,3H,4H-benzo[g]pteridin-8-yl}methanimidamide

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

C248-0075

Molecular Formula

C16H18N6O2 (C16 H18 N6 O2)

Compound Name

(E)-N,N-dimethyl-N'-{1,3,7-trimethyl-2,4-dioxo-1H,2H,3H,4H-benzo[g]pteridin-8-yl}methanimidamide

IUPAC name

(E)-NN-dimethyl-N'-{137-trimethyl-24-dioxo-1H2H3H4H-benzo[g]pteridin-8-yl}methanimidamide

SMILES

Cc(cc(c(nc1N(C)C(N2C)=O)c3)nc1C2=O)c3/N=C/N(C)C

InChI

InChI=1S/C16H18N6O2/c1-9-6-11-12(7-10(9)17-8-20(2)3)19-14-13(18-11)15(23)22(5)16(24)21(14)4/h6-8H,1-5H3

InChI Key

JXLHNKRVUZGAGU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01547824

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

326.36

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.791

Distribution Coefficient, logD

-0.754

Water Solubility, LogSw

-1.83

Polar Surface Area

60.966

Acid Dissociation Constant (pKa)

27.10

Base Dissociation Constant (pKb)

9.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

C248-0075 in Drug Discovery

Included in Screening Libraries

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

Human Proteases Annotated Library (2868 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with C248-0075 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C248-0075?
Check Price and Availability of C248-0075, 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 C248-0075 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C248-0075
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C248-0075
  • 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 C248-0075 available by request