C248-0161 Screening compound: N-{3-butyl-2,4-dioxo-1H,2H,3H,4H-benzo[g]pteridin-8-yl}heptanamide

C248-0161 Screening compound: N-{3-butyl-2,4-dioxo-1H,2H,3H,4H-benzo[g]pteridin-8-yl}heptanamide
C248-0161 Screening compound: N-{3-butyl-2,4-dioxo-1H,2H,3H,4H-benzo[g]pteridin-8-yl}heptanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C248-0161
N-{3-butyl-2,4-dioxo-1H,2H,3H,4H-benzo[g]pteridin-8-yl}heptanamide

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

C248-0161

Molecular Formula

C21H27N5O3 (C21 H27 N5 O3)

Compound Name

N-{3-butyl-2,4-dioxo-1H,2H,3H,4H-benzo[g]pteridin-8-yl}heptanamide

IUPAC name

N-{3-butyl-24-dioxo-1H2H3H4H-benzo[g]pteridin-8-yl}heptanamide

SMILES

CCCCCCC(Nc(cc1nc2NC(N3CCCC)=O)ccc1nc2C3=O)=O

InChI

InChI=1S/C21H27N5O3/c1-3-5-7-8-9-17(27)22-14-10-11-15-16(13-14)24-19-18(23-15)20(28)26(12-6-4-2)21(29)25-19/h10-11,13H,3-9,12H2,1-2H3,(H,22,27)(H,24,25,29)

InChI Key

XGZLAVLBKROCEC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09697388

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.459

Distribution Coefficient, logD

4.425

Water Solubility, LogSw

-4.17

Polar Surface Area

82.250

Acid Dissociation Constant (pKa)

8.48

Base Dissociation Constant (pKb)

2.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.60

C248-0161 in Drug Discovery

Included in Screening Libraries

C-Met Library (15277 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
Targets:
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C248-0161 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C248-0161?
Check Price and Availability of C248-0161, 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 C248-0161 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C248-0161
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C248-0161
  • 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 C248-0161 available by request