D699-0096 Screening compound: 2-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-5-yl]-N-[(oxolan-2-yl)methyl]acetamide

D699-0096 Screening compound: 2-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-5-yl]-N-[(oxolan-2-yl)methyl]acetamide
D699-0096 Screening compound: 2-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-5-yl]-N-[(oxolan-2-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D699-0096
2-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-5-yl]-N-[(oxolan-2-yl)methyl]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

D699-0096

Molecular Formula

C21H23N7O2 (C21 H23 N7 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc1cc(C)nn1-c1nnc(c(cccc2)c2n2CC(NCC3OCCC3)=O)c2n1

InChI

InChI=1S/C21H23N7O2/c1-13-10-14(2)28(26-13)21-23-20-19(24-25-21)16-7-3-4-8-17(16)27(20)12-18(29)22-11-15-6-5-9-30-15/h3-4,7-8,10,15H,5-6,9,11-12H2,1-2H3,(H,22,29)/t15-/m1/s1

InChI Key

HPCUMEVPEDWPGS-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD27596709

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.290

Distribution Coefficient, logD

1.290

Water Solubility, LogSw

-2.35

Polar Surface Area

80.181

Acid Dissociation Constant (pKa)

13.90

Base Dissociation Constant (pKb)

3.92

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.10

D699-0096 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

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

Immunological Library (6760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system

References: we are preparing a list of scientific research reports with D699-0096 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D699-0096?
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What is the minimum amount of D699-0096 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D699-0096
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D699-0096
  • 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 D699-0096 available by request