C248-0178 Screening compound: (E)-N'-{3-butyl-7-methyl-2,4-dioxo-1H,2H,3H,4H-benzo[g]pteridin-8-yl}-N,N-dimethylmethanimidamide

C248-0178 Screening compound: (E)-N'-{3-butyl-7-methyl-2,4-dioxo-1H,2H,3H,4H-benzo[g]pteridin-8-yl}-N,N-dimethylmethanimidamide
C248-0178 Screening compound: (E)-N'-{3-butyl-7-methyl-2,4-dioxo-1H,2H,3H,4H-benzo[g]pteridin-8-yl}-N,N-dimethylmethanimidamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C248-0178
(E)-N'-{3-butyl-7-methyl-2,4-dioxo-1H,2H,3H,4H-benzo[g]pteridin-8-yl}-N,N-dimethylmethanimidamide

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

C248-0178

Molecular Formula

C18H22N6O2 (C18 H22 N6 O2)

Compound Name

(E)-N'-{3-butyl-7-methyl-2,4-dioxo-1H,2H,3H,4H-benzo[g]pteridin-8-yl}-N,N-dimethylmethanimidamide

IUPAC name

(E)-N'-{3-butyl-7-methyl-24-dioxo-1H2H3H4H-benzo[g]pteridin-8-yl}-NN-dimethylmethanimidamide

SMILES

CCCCN(C(c(c(N1)nc2c3)nc2cc(C)c3/N=C/N(C)C)=O)C1=O

InChI

InChI=1S/C18H22N6O2/c1-5-6-7-24-17(25)15-16(22-18(24)26)21-14-9-12(19-10-23(3)4)11(2)8-13(14)20-15/h8-10H,5-7H2,1-4H3,(H,21,22,26)

InChI Key

RVVAUYSWOAFGKH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14735241

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.612

Distribution Coefficient, logD

-0.185

Water Solubility, LogSw

-2.93

Polar Surface Area

69.648

Acid Dissociation Constant (pKa)

8.68

Base Dissociation Constant (pKb)

9.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.90

References: we are preparing a list of scientific research reports with C248-0178 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C248-0178?
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What is the minimum amount of C248-0178 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C248-0178
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C248-0178
  • 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 C248-0178 available by request