5228-4242 Screening compound: 3-[5-(4-CHLOROPHENYL)-7-PHENYL-4H,7H-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-2-YL]PROPAN-1-OL

5228-4242 Screening compound: 3-[5-(4-CHLOROPHENYL)-7-PHENYL-4H,7H-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-2-YL]PROPAN-1-OL
5228-4242 Screening compound: 3-[5-(4-CHLOROPHENYL)-7-PHENYL-4H,7H-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-2-YL]PROPAN-1-OL alternative view

Chemical Structure Depiction of ChemDiv screening compound 5228-4242
3-[5-(4-CHLOROPHENYL)-7-PHENYL-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

5228-4242

Molecular Formula

C20H19ClN4O (C20 H19 ClN4 O)

Compound Name

3-[5-(4-CHLOROPHENYL)-7-PHENYL-4H,7H-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-2-YL]PROPAN-1-OL

IUPAC name

n/a

SMILES

OCCCc1nn(C(C=C(c(cc2)ccc2Cl)N2)c3ccccc3)c2n1

InChI

InChI=1S/C20H19ClN4O/c21-16-10-8-14(9-11-16)17-13-18(15-5-2-1-3-6-15)25-20(22-17)23-19(24-25)7-4-12-26/h1-3,5-6,8-11,13,18,26H,4,7,12H2,(H,22,23,24)/t18-/m1/s1

InChI Key

LJGKHSMCFXOZDG-GOSISDBHSA-N

MDL Number (MFCD)

MFCD04064418

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.85

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.966

Distribution Coefficient, logD

3.872

Water Solubility, LogSw

-4.66

Polar Surface Area

55.305

Acid Dissociation Constant (pKa)

8.02

Base Dissociation Constant (pKb)

-0.52

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

5228-4242 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 5228-4242 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5228-4242?
Check Price and Availability of 5228-4242, 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 5228-4242 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5228-4242
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5228-4242
  • 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 5228-4242 available by request