D699-0121 Screening compound: N-butyl-2-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-5-yl]acetamide

D699-0121 Screening compound: N-butyl-2-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-5-yl]acetamide
D699-0121 Screening compound: N-butyl-2-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-5-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D699-0121
N-butyl-2-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-5-yl]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

D699-0121

Molecular Formula

C20H23N7O (C20 H23 N7 O)

Compound Name

N-butyl-2-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-5-yl]acetamide

IUPAC name

N-butyl-2-[3-(35-dimethyl-1H-pyrazol-1-yl)-5H-[124]triazino[56-b]indol-5-yl]acetamide

SMILES

CCCCNC(Cn1c2nc(-n3nc(C)cc3C)nnc2c2c1cccc2)=O

InChI

InChI=1S/C20H23N7O/c1-4-5-10-21-17(28)12-26-16-9-7-6-8-15(16)18-19(26)22-20(24-23-18)27-14(3)11-13(2)25-27/h6-9,11H,4-5,10,12H2,1-3H3,(H,21,28)

InChI Key

GQIRMUGWQSKRKB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27596719

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.488

Distribution Coefficient, logD

2.488

Water Solubility, LogSw

-2.94

Polar Surface Area

71.639

Acid Dissociation Constant (pKa)

14.56

Base Dissociation Constant (pKb)

3.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

D699-0121 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with D699-0121 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D699-0121?
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What is the minimum amount of D699-0121 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D699-0121
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D699-0121
  • 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 D699-0121 available by request