C248-0223 Screening compound: N-{3-cyclohexyl-2,4-dioxo-1H,2H,3H,4H-benzo[g]pteridin-8-yl}benzamide

C248-0223 Screening compound: N-{3-cyclohexyl-2,4-dioxo-1H,2H,3H,4H-benzo[g]pteridin-8-yl}benzamide
C248-0223 Screening compound: N-{3-cyclohexyl-2,4-dioxo-1H,2H,3H,4H-benzo[g]pteridin-8-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C248-0223
N-{3-cyclohexyl-2,4-dioxo-1H,2H,3H,4H-benzo[g]pteridin-8-yl}benzamide

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

C248-0223

Molecular Formula

C23H21N5O3 (C23 H21 N5 O3)

Compound Name

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

IUPAC name

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

SMILES

O=C(c1ccccc1)Nc(cc1nc2NC(N3C4CCCCC4)=O)ccc1nc2C3=O

InChI

InChI=1S/C23H21N5O3/c29-21(14-7-3-1-4-8-14)24-15-11-12-17-18(13-15)26-20-19(25-17)22(30)28(23(31)27-20)16-9-5-2-6-10-16/h1,3-4,7-8,11-13,16H,2,5-6,9-10H2,(H,24,29)(H,26,27,31)

InChI Key

KCYUYNMDTSVUEU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14735255

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.969

Distribution Coefficient, logD

3.956

Water Solubility, LogSw

-4.15

Polar Surface Area

81.163

Acid Dissociation Constant (pKa)

8.93

Base Dissociation Constant (pKb)

-0.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

C248-0223 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with C248-0223 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C248-0223?
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What is the minimum amount of C248-0223 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C248-0223
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C248-0223
  • 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 C248-0223 available by request