D458-0414 Screening compound: N-(3-acetylphenyl)-2-[2-(4-tert-butylphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide

D458-0414 Screening compound: N-(3-acetylphenyl)-2-[2-(4-tert-butylphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide
D458-0414 Screening compound: N-(3-acetylphenyl)-2-[2-(4-tert-butylphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D458-0414
N-(3-acetylphenyl)-2-[2-(4-tert-butylphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-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

D458-0414

Molecular Formula

C27H29N5O2 (C27 H29 N5 O2)

Compound Name

N-(3-acetylphenyl)-2-[2-(4-tert-butylphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide

IUPAC name

N-(3-acetylphenyl)-2-[2-(4-tert-butylphenyl)-57-dimethyl-[124]triazolo[15-a]pyrimidin-6-yl]acetamide

SMILES

CC(C)(C)c(cc1)ccc1-c1nn2c(C)c(CC(Nc3cc(C(C)=O)ccc3)=O)c(C)nc2n1

InChI

InChI=1S/C27H29N5O2/c1-16-23(15-24(34)29-22-9-7-8-20(14-22)18(3)33)17(2)32-26(28-16)30-25(31-32)19-10-12-21(13-11-19)27(4,5)6/h7-14H,15H2,1-6H3,(H,29,34)

InChI Key

WCFFLISGOGQDOW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27587725

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.150

Distribution Coefficient, logD

5.150

Water Solubility, LogSw

-5.06

Polar Surface Area

67.809

Acid Dissociation Constant (pKa)

10.18

Base Dissociation Constant (pKb)

3.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.60

References: we are preparing a list of scientific research reports with D458-0414 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D458-0414?
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What is the minimum amount of D458-0414 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D458-0414
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D458-0414
  • 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 D458-0414 available by request