5228-4261 Screening compound: 3-[5-(4-bromophenyl)-7-(4-methoxyphenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propan-1-ol

5228-4261 Screening compound: 3-[5-(4-bromophenyl)-7-(4-methoxyphenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propan-1-ol
5228-4261 Screening compound: 3-[5-(4-bromophenyl)-7-(4-methoxyphenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propan-1-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 5228-4261
3-[5-(4-bromophenyl)-7-(4-methoxyphenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propan-1-ol

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

5228-4261

Molecular Formula

C21H21BrN4O2 (C21 H21 BrN4 O2)

Compound Name

3-[5-(4-bromophenyl)-7-(4-methoxyphenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propan-1-ol

IUPAC name

3-[5-(4-bromophenyl)-7-(4-methoxyphenyl)-4H7H-[124]triazolo[15-a]pyrimidin-2-yl]propan-1-ol

SMILES

COc1ccc(C2n3nc(CCCO)nc3NC(c(cc3)ccc3Br)=C2)cc1

InChI

InChI=1S/C21H21BrN4O2/c1-28-17-10-6-15(7-11-17)19-13-18(14-4-8-16(22)9-5-14)23-21-24-20(3-2-12-27)25-26(19)21/h4-11,13,19,27H,2-3,12H2,1H3,(H,23,24,25)/t19-/m1/s1

InChI Key

BJINCOHJTNDAJV-LJQANCHMSA-N

MDL Number (MFCD)

MFCD03847452

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.33

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.183

Distribution Coefficient, logD

4.089

Water Solubility, LogSw

-4.22

Polar Surface Area

62.849

Acid Dissociation Constant (pKa)

8.02

Base Dissociation Constant (pKb)

-0.52

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.80

5228-4261 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 5228-4261 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5228-4261?
Check Price and Availability of 5228-4261, 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 5228-4261 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5228-4261
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5228-4261
  • 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 5228-4261 available by request