D699-0138 Screening compound: 2-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-5-yl]-N-[(thiophen-2-yl)methyl]propanamide

D699-0138 Screening compound: 2-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-5-yl]-N-[(thiophen-2-yl)methyl]propanamide
D699-0138 Screening compound: 2-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-5-yl]-N-[(thiophen-2-yl)methyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D699-0138
2-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-5-yl]-N-[(thiophen-2-yl)methyl]propanamide

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

D699-0138

Molecular Formula

C22H21N7OS (C22 H21 N7 OS)

Compound Name

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

IUPAC name

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

SMILES

CC(C(NCc1cccs1)=O)n1c2nc(-n3nc(C)cc3C)nnc2c2c1cccc2

InChI

InChI=1S/C22H21N7OS/c1-13-11-14(2)29(27-13)22-24-20-19(25-26-22)17-8-4-5-9-18(17)28(20)15(3)21(30)23-12-16-7-6-10-31-16/h4-11,15H,12H2,1-3H3,(H,23,30)/t15-/m0/s1

InChI Key

GOUUWSSCTPHKEF-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD27596727

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.448

Distribution Coefficient, logD

2.448

Water Solubility, LogSw

-2.87

Polar Surface Area

73.454

Acid Dissociation Constant (pKa)

13.27

Base Dissociation Constant (pKb)

3.84

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.70

D699-0138 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Angiogenesis library (14822 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with D699-0138 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D699-0138?
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What is the minimum amount of D699-0138 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D699-0138
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D699-0138
  • 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 D699-0138 available by request