7151-0025 Screening compound: methyl 2-phenyl-2-[2-({5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)butanamido]acetate

7151-0025 Screening compound: methyl 2-phenyl-2-[2-({5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)butanamido]acetate
7151-0025 Screening compound: methyl 2-phenyl-2-[2-({5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)butanamido]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 7151-0025
methyl 2-phenyl-2-[2-({5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)butanamido]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

7151-0025

Molecular Formula

C25H27N5O3S (C25 H27 N5 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCCn1c2nc(SC(CC)C(NC(C(OC)=O)c3ccccc3)=O)nnc2c2c1cccc2

InChI

InChI=1S/C25H27N5O3S/c1-4-15-30-18-14-10-9-13-17(18)21-22(30)27-25(29-28-21)34-19(5-2)23(31)26-20(24(32)33-3)16-11-7-6-8-12-16/h6-14,19-20H,4-5,15H2,1-3H3,(H,26,31)

InChI Key

DOGWUOJNJRAYEG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07081808

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.59

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.543

Distribution Coefficient, logD

4.543

Water Solubility, LogSw

-4.20

Polar Surface Area

78.168

Acid Dissociation Constant (pKa)

11.49

Base Dissociation Constant (pKb)

0.47

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

32.00

References: we are preparing a list of scientific research reports with 7151-0025 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7151-0025?
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What is the minimum amount of 7151-0025 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7151-0025
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7151-0025
  • 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 7151-0025 available by request