D205-0480 Screening compound: 4-tert-butyl-N-{7-hydroxy-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}benzamide

D205-0480 Screening compound: 4-tert-butyl-N-{7-hydroxy-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}benzamide
D205-0480 Screening compound: 4-tert-butyl-N-{7-hydroxy-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D205-0480
4-tert-butyl-N-{7-hydroxy-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}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

D205-0480

Molecular Formula

C22H21N5O2 (C22 H21 N5 O2)

Compound Name

4-tert-butyl-N-{7-hydroxy-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}benzamide

IUPAC name

4-tert-butyl-N-{7-hydroxy-5-phenyl-[124]triazolo[15-a]pyrimidin-2-yl}benzamide

SMILES

CC(C)(C)c(cc1)ccc1C(Nc1nn2c(O)cc(-c3ccccc3)nc2n1)=O

InChI

InChI=1S/C22H21N5O2/c1-22(2,3)16-11-9-15(10-12-16)19(29)24-20-25-21-23-17(13-18(28)27(21)26-20)14-7-5-4-6-8-14/h4-13,28H,1-3H3,(H,24,26,29)

InChI Key

ZTVJNSURPGVDEB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14814056

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.672

Distribution Coefficient, logD

2.973

Water Solubility, LogSw

-4.34

Polar Surface Area

71.478

Acid Dissociation Constant (pKa)

5.71

Base Dissociation Constant (pKb)

1.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

D205-0480 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with D205-0480 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D205-0480?
Check Price and Availability of D205-0480, 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 D205-0480 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D205-0480
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D205-0480
  • 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 D205-0480 available by request