D245-0289 Screening compound: N4-[2-(4-methoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-N1,N1-dimethylbenzene-1,4-diamine

D245-0289 Screening compound: N4-[2-(4-methoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-N1,N1-dimethylbenzene-1,4-diamine
D245-0289 Screening compound: N4-[2-(4-methoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-N1,N1-dimethylbenzene-1,4-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound D245-0289
N4-[2-(4-methoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-N1,N1-dimethylbenzene-1,4-diamine

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

D245-0289

Molecular Formula

C21H22N6O (C21 H22 N6 O)

Compound Name

N4-[2-(4-methoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-N1,N1-dimethylbenzene-1,4-diamine

IUPAC name

N4-[2-(4-methoxyphenyl)-5-methyl-[124]triazolo[15-a]pyrimidin-7-yl]-N1N1-dimethylbenzene-14-diamine

SMILES

Cc1nc2nc(-c(cc3)ccc3OC)nn2c(Nc(cc2)ccc2N(C)C)c1

InChI

InChI=1S/C21H22N6O/c1-14-13-19(23-16-7-9-17(10-8-16)26(2)3)27-21(22-14)24-20(25-27)15-5-11-18(28-4)12-6-15/h5-13,23H,1-4H3

InChI Key

IGHDRSRIEGMYKM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14815272

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.45

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.208

Distribution Coefficient, logD

4.193

Water Solubility, LogSw

-4.34

Polar Surface Area

50.189

Acid Dissociation Constant (pKa)

17.09

Base Dissociation Constant (pKb)

5.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

D245-0289 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Immune system
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D245-0289 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D245-0289?
Check Price and Availability of D245-0289, 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 D245-0289 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D245-0289
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D245-0289
  • 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 D245-0289 available by request