C888-0536 Screening compound: 2-{4,8-dimethyl-1-oxo-1H,2H-[1,2,4]triazino[4,5-a]indol-2-yl}-N-(2-methylphenyl)butanamide

C888-0536 Screening compound: 2-{4,8-dimethyl-1-oxo-1H,2H-[1,2,4]triazino[4,5-a]indol-2-yl}-N-(2-methylphenyl)butanamide
C888-0536 Screening compound: 2-{4,8-dimethyl-1-oxo-1H,2H-[1,2,4]triazino[4,5-a]indol-2-yl}-N-(2-methylphenyl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C888-0536
2-{4,8-dimethyl-1-oxo-1H,2H-[1,2,4]triazino[4,5-a]indol-2-yl}-N-(2-methylphenyl)butanamide

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

C888-0536

Molecular Formula

C23H24N4O2 (C23 H24 N4 O2)

Compound Name

2-{4,8-dimethyl-1-oxo-1H,2H-[1,2,4]triazino[4,5-a]indol-2-yl}-N-(2-methylphenyl)butanamide

IUPAC name

2-{48-dimethyl-1-oxo-1H2H-[124]triazino[45-a]indol-2-yl}-N-(2-methylphenyl)butanamide

SMILES

CCC(C(Nc1c(C)cccc1)=O)N(C(c1c2)=O)N=C(C)n1c1c2cc(C)cc1

InChI

InChI=1S/C23H24N4O2/c1-5-19(22(28)24-18-9-7-6-8-15(18)3)27-23(29)21-13-17-12-14(2)10-11-20(17)26(21)16(4)25-27/h6-13,19H,5H2,1-4H3,(H,24,28)/t19-/m0/s1

InChI Key

QVGVNRJEPYGUOV-IBGZPJMESA-N

MDL Number (MFCD)

MFCD14806186

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.576

Distribution Coefficient, logD

4.576

Water Solubility, LogSw

-4.46

Polar Surface Area

50.159

Acid Dissociation Constant (pKa)

12.33

Base Dissociation Constant (pKb)

1.02

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.10

References: we are preparing a list of scientific research reports with C888-0536 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C888-0536?
Check Price and Availability of C888-0536, 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 C888-0536 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C888-0536
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C888-0536
  • 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 C888-0536 available by request