8016-2242 Screening compound: methyl 2-phenyl-2-[2-({5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)acetamido]acetate

8016-2242 Screening compound: methyl 2-phenyl-2-[2-({5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)acetamido]acetate
8016-2242 Screening compound: methyl 2-phenyl-2-[2-({5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)acetamido]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-2242
methyl 2-phenyl-2-[2-({5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)acetamido]acetate

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

8016-2242

Molecular Formula

C23H23N5O3S (C23 H23 N5 O3 S)

Compound Name

methyl 2-phenyl-2-[2-({5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)acetamido]acetate

IUPAC name

methyl 2-phenyl-2-[2-({5-propyl-5H-[124]triazino[56-b]indol-3-yl}sulfanyl)acetamido]acetate

SMILES

CCCn1c2nc(SCC(NC(C(OC)=O)c3ccccc3)=O)nnc2c2c1cccc2

InChI

InChI=1S/C23H23N5O3S/c1-3-13-28-17-12-8-7-11-16(17)20-21(28)25-23(27-26-20)32-14-18(29)24-19(22(30)31-2)15-9-5-4-6-10-15/h4-12,19H,3,13-14H2,1-2H3,(H,24,29)/t19-/m1/s1

InChI Key

FZKDBJZKCGIXKS-LJQANCHMSA-N

MDL Number (MFCD)

MFCD05854834

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.53

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.331

Distribution Coefficient, logD

3.331

Water Solubility, LogSw

-3.54

Polar Surface Area

77.954

Acid Dissociation Constant (pKa)

11.94

Base Dissociation Constant (pKb)

0.87

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.10

References: we are preparing a list of scientific research reports with 8016-2242 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-2242?
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What is the minimum amount of 8016-2242 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-2242
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-2242
  • 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 8016-2242 available by request