D699-0125 Screening compound: ethyl 1-{2-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-5-yl]acetyl}piperidine-3-carboxylate

D699-0125 Screening compound: ethyl 1-{2-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-5-yl]acetyl}piperidine-3-carboxylate
D699-0125 Screening compound: ethyl 1-{2-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-5-yl]acetyl}piperidine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound D699-0125
ethyl 1-{2-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-5-yl]acetyl}piperidine-3-carboxylate

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

D699-0125

Molecular Formula

C24H27N7O3 (C24 H27 N7 O3)

Compound Name

ethyl 1-{2-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-5-yl]acetyl}piperidine-3-carboxylate

IUPAC name

ethyl 1-{2-[3-(35-dimethyl-1H-pyrazol-1-yl)-5H-[124]triazino[56-b]indol-5-yl]acetyl}piperidine-3-carboxylate

SMILES

CCOC(C(CCC1)CN1C(Cn1c2nc(-n3nc(C)cc3C)nnc2c2c1cccc2)=O)=O

InChI

InChI=1S/C24H27N7O3/c1-4-34-23(33)17-8-7-11-29(13-17)20(32)14-30-19-10-6-5-9-18(19)21-22(30)25-24(27-26-21)31-16(3)12-15(2)28-31/h5-6,9-10,12,17H,4,7-8,11,13-14H2,1-3H3/t17-/m0/s1

InChI Key

NFFKMFGMCJKEFZ-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD27596723

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.52

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.186

Distribution Coefficient, logD

2.185

Water Solubility, LogSw

-2.64

Polar Surface Area

84.134

Acid Dissociation Constant (pKa)

18.29

Base Dissociation Constant (pKb)

4.67

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.70

D699-0125 in Drug Discovery

Included in Screening Libraries

Integrin Receptors Targeted library (1715 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Immune system
Targets:
  • Others
Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with D699-0125 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D699-0125?
Check Price and Availability of D699-0125, 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 D699-0125 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D699-0125
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D699-0125
  • 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 D699-0125 available by request