D699-0104 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-5-yl]acetamide

D699-0104 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-5-yl]acetamide
D699-0104 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-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 D699-0104
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-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

D699-0104

Molecular Formula

C24H21N7O3 (C24 H21 N7 O3)

Compound Name

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

IUPAC name

N-(23-dihydro-14-benzodioxin-6-yl)-2-[3-(35-dimethyl-1H-pyrazol-1-yl)-5H-[124]triazino[56-b]indol-5-yl]acetamide

SMILES

Cc1cc(C)nn1-c1nnc(c(cccc2)c2n2CC(Nc(cc3)cc4c3OCCO4)=O)c2n1

InChI

InChI=1S/C24H21N7O3/c1-14-11-15(2)31(29-14)24-26-23-22(27-28-24)17-5-3-4-6-18(17)30(23)13-21(32)25-16-7-8-19-20(12-16)34-10-9-33-19/h3-8,11-12H,9-10,13H2,1-2H3,(H,25,32)

InChI Key

TULHDEJIFUXHHM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27596712

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.229

Distribution Coefficient, logD

2.229

Water Solubility, LogSw

-2.98

Polar Surface Area

86.027

Acid Dissociation Constant (pKa)

10.92

Base Dissociation Constant (pKb)

3.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

D699-0104 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-Inflammatory Library (24602 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with D699-0104 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D699-0104?
Check Price and Availability of D699-0104, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D699-0104 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D699-0104
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D699-0104
  • 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 D699-0104 available by request