8009-7602 Screening compound: methyl 2-({2-[(5-allyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetyl}amino)-4-methylpentanoate

8009-7602 Screening compound: methyl 2-({2-[(5-allyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetyl}amino)-4-methylpentanoate
8009-7602 Screening compound: methyl 2-({2-[(5-allyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetyl}amino)-4-methylpentanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-7602
methyl 2-({2-[(5-allyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetyl}amino)-4-methylpentanoate

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

8009-7602

Molecular Formula

C21H25N5O3S (C21 H25 N5 O3 S)

Compound Name

methyl 2-({2-[(5-allyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetyl}amino)-4-methylpentanoate

IUPAC name

methyl 4-methyl-2-(2-{[5-(prop-2-en-1-yl)-5H-[124]triazino[56-b]indol-3-yl]sulfanyl}acetamido)pentanoate

SMILES

CC(C)CC(C(OC)=O)NC(CSc1nnc(c(cccc2)c2n2CC=C)c2n1)=O

InChI

InChI=1S/C21H25N5O3S/c1-5-10-26-16-9-7-6-8-14(16)18-19(26)23-21(25-24-18)30-12-17(27)22-15(11-13(2)3)20(28)29-4/h5-9,13,15H,1,10-12H2,2-4H3,(H,22,27)/t15-/m0/s1

InChI Key

BSIPRKCTCKFJRU-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD01820125

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.53

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

3.252

Distribution Coefficient, logD

3.252

Water Solubility, LogSw

-3.52

Polar Surface Area

78.504

Acid Dissociation Constant (pKa)

13.13

Base Dissociation Constant (pKb)

0.24

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.10

8009-7602 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8009-7602 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-7602?
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What is the minimum amount of 8009-7602 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-7602
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-7602
  • 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 8009-7602 available by request