D433-1071 Screening compound: N-(4-ethoxyphenyl)-3,4,5-trimethoxy-N-({5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}methyl)benzamide

D433-1071 Screening compound: N-(4-ethoxyphenyl)-3,4,5-trimethoxy-N-({5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}methyl)benzamide
D433-1071 Screening compound: N-(4-ethoxyphenyl)-3,4,5-trimethoxy-N-({5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}methyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D433-1071
N-(4-ethoxyphenyl)-3,4,5-trimethoxy-N-({5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}methyl)benzamide

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

D433-1071

Molecular Formula

C25H27N5O6 (C25 H27 N5 O6)

Compound Name

N-(4-ethoxyphenyl)-3,4,5-trimethoxy-N-({5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}methyl)benzamide

IUPAC name

N-(4-ethoxyphenyl)-345-trimethoxy-N-({5-methyl-7-oxo-4H7H-[124]triazolo[15-a]pyrimidin-2-yl}methyl)benzamide

SMILES

CCOc(cc1)ccc1N(Cc(nc1NC(C)=C2)nn1C2=O)C(c(cc1OC)cc(OC)c1OC)=O

InChI

InChI=1S/C25H27N5O6/c1-6-36-18-9-7-17(8-10-18)29(14-21-27-25-26-15(2)11-22(31)30(25)28-21)24(32)16-12-19(33-3)23(35-5)20(13-16)34-4/h7-13H,6,14H2,1-5H3,(H,26,27,28)

InChI Key

BPFVRPRNOHVKBQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27586019

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.52

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.485

Distribution Coefficient, logD

-0.168

Water Solubility, LogSw

-3.15

Polar Surface Area

97.448

Acid Dissociation Constant (pKa)

4.75

Base Dissociation Constant (pKb)

-1.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

D433-1071 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with D433-1071 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D433-1071?
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What is the minimum amount of D433-1071 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D433-1071
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D433-1071
  • 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 D433-1071 available by request