D699-0141 Screening compound: N-[2-(1H-1,3-benzodiazol-2-yl)ethyl]-2-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-5-yl]acetamide

D699-0141 Screening compound: N-[2-(1H-1,3-benzodiazol-2-yl)ethyl]-2-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-5-yl]acetamide
D699-0141 Screening compound: N-[2-(1H-1,3-benzodiazol-2-yl)ethyl]-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 D699-0141
N-[2-(1H-1,3-benzodiazol-2-yl)ethyl]-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

D699-0141

Molecular Formula

C25H23N9O (C25 H23 N9 O)

Compound Name

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

IUPAC name

N-[2-(1H-13-benzodiazol-2-yl)ethyl]-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(NCCc3nc(cccc4)c4[nH]3)=O)c2n1

InChI

InChI=1S/C25H23N9O/c1-15-13-16(2)34(32-15)25-29-24-23(30-31-25)17-7-3-6-10-20(17)33(24)14-22(35)26-12-11-21-27-18-8-4-5-9-19(18)28-21/h3-10,13H,11-12,14H2,1-2H3,(H,26,35)(H,27,28)

InChI Key

BIEOLHBQAJIPRF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27596728

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.487

Distribution Coefficient, logD

2.473

Water Solubility, LogSw

-2.94

Polar Surface Area

91.649

Acid Dissociation Constant (pKa)

13.46

Base Dissociation Constant (pKb)

5.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

D699-0141 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D699-0141 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D699-0141?
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What is the minimum amount of D699-0141 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D699-0141
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D699-0141
  • 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 D699-0141 available by request