C248-0203 Screening compound: (5Z)-1-benzyl-5-[({3-hexyl-2,4-dioxo-1H,2H,3H,4H-benzo[g]pteridin-8-yl}amino)methylidene]-1,3-diazinane-2,4,6-trione

C248-0203 Screening compound: (5Z)-1-benzyl-5-[({3-hexyl-2,4-dioxo-1H,2H,3H,4H-benzo[g]pteridin-8-yl}amino)methylidene]-1,3-diazinane-2,4,6-trione
C248-0203 Screening compound: (5Z)-1-benzyl-5-[({3-hexyl-2,4-dioxo-1H,2H,3H,4H-benzo[g]pteridin-8-yl}amino)methylidene]-1,3-diazinane-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound C248-0203
(5Z)-1-benzyl-5-[({3-hexyl-2,4-dioxo-1H,2H,3H,4H-benzo[g]pteridin-8-yl}amino)methylidene]-1,3-diazinane-2,4,6-trione

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

C248-0203

Molecular Formula

C28H27N7O5 (C28 H27 N7 O5)

Compound Name

(5Z)-1-benzyl-5-[({3-hexyl-2,4-dioxo-1H,2H,3H,4H-benzo[g]pteridin-8-yl}amino)methylidene]-1,3-diazinane-2,4,6-trione

IUPAC name

(5Z)-1-benzyl-5-[({3-hexyl-24-dioxo-1H2H3H4H-benzo[g]pteridin-8-yl}amino)methylidene]-13-diazinane-246-trione

SMILES

CCCCCCN(C(c1c(N2)nc(cc(cc3)N/C=C(/C(NC(N4Cc5ccccc5)=O)=O)\C4=O)c3n1)=O)C2=O

InChI

InChI=1S/C28H27N7O5/c1-2-3-4-8-13-34-26(38)22-23(32-27(34)39)31-21-14-18(11-12-20(21)30-22)29-15-19-24(36)33-28(40)35(25(19)37)16-17-9-6-5-7-10-17/h5-7,9-12,14-15,29H,2-4,8,13,16H2,1H3,(H,31,32,39)(H,33,36,40)

InChI Key

VHIHCDFLPOGUID-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14735249

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

541.57

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

4.314

Distribution Coefficient, logD

3.664

Water Solubility, LogSw

-4.26

Polar Surface Area

124.465

Acid Dissociation Constant (pKa)

6.86

Base Dissociation Constant (pKb)

6.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

C248-0203 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with C248-0203 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C248-0203?
Check Price and Availability of C248-0203, 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 C248-0203 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C248-0203
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C248-0203
  • 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 C248-0203 available by request