6623-1266 Screening compound: N-(4-methylpyridin-2-yl)-2-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamide

6623-1266 Screening compound: N-(4-methylpyridin-2-yl)-2-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamide
6623-1266 Screening compound: N-(4-methylpyridin-2-yl)-2-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6623-1266
N-(4-methylpyridin-2-yl)-2-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamide

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

6623-1266

Molecular Formula

C20H18N6OS (C20 H18 N6 OS)

Compound Name

N-(4-methylpyridin-2-yl)-2-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamide

IUPAC name

N-(4-methylpyridin-2-yl)-2-{[5-(prop-2-en-1-yl)-5H-[124]triazino[56-b]indol-3-yl]sulfanyl}acetamide

SMILES

Cc1cc(NC(CSc2nnc(c(cccc3)c3n3CC=C)c3n2)=O)ncc1

InChI

InChI=1S/C20H18N6OS/c1-3-10-26-15-7-5-4-6-14(15)18-19(26)23-20(25-24-18)28-12-17(27)22-16-11-13(2)8-9-21-16/h3-9,11H,1,10,12H2,2H3,(H,21,22,27)

InChI Key

AVMVMDOQEQFVRB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01239821

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.450

Distribution Coefficient, logD

3.450

Water Solubility, LogSw

-3.74

Polar Surface Area

65.721

Acid Dissociation Constant (pKa)

11.07

Base Dissociation Constant (pKb)

3.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

6623-1266 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 6623-1266 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6623-1266?
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What is the minimum amount of 6623-1266 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6623-1266
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6623-1266
  • 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 6623-1266 available by request