8399-0399 Screening compound: 4-(4-BROMOBENZYL)-1-(4,6-DIMETHYL-2-PYRIMIDINYL)-3-METHYL-1H-PYRAZOL-5-OL

8399-0399 Screening compound: 4-(4-BROMOBENZYL)-1-(4,6-DIMETHYL-2-PYRIMIDINYL)-3-METHYL-1H-PYRAZOL-5-OL
8399-0399 Screening compound: 4-(4-BROMOBENZYL)-1-(4,6-DIMETHYL-2-PYRIMIDINYL)-3-METHYL-1H-PYRAZOL-5-OL alternative view

Chemical Structure Depiction of ChemDiv screening compound 8399-0399
4-(4-BROMOBENZYL)-1-(4,6-DIMETHYL-2-PYRIMIDINYL)-3-METHYL-1H-PYRAZOL-5-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

8399-0399

Molecular Formula

C17H17BrN4O (C17 H17 BrN4 O)

Compound Name

4-(4-BROMOBENZYL)-1-(4,6-DIMETHYL-2-PYRIMIDINYL)-3-METHYL-1H-PYRAZOL-5-OL

IUPAC name

4-[(4-bromophenyl)methyl]-1-(46-dimethylpyrimidin-2-yl)-3-methyl-1H-pyrazol-5-ol

SMILES

Cc(c(Cc(cc1)ccc1Br)c1O)nn1-c1nc(C)cc(C)n1

InChI

InChI=1S/C17H17BrN4O/c1-10-8-11(2)20-17(19-10)22-16(23)15(12(3)21-22)9-13-4-6-14(18)7-5-13/h4-8,23H,9H2,1-3H3

InChI Key

VQURCHKKOVPTQK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07181238

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.25

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.331

Distribution Coefficient, logD

2.957

Water Solubility, LogSw

-3.06

Polar Surface Area

46.928

Acid Dissociation Constant (pKa)

7.26

Base Dissociation Constant (pKb)

5.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.53

8399-0399 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Immune system
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8399-0399 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8399-0399?
Check Price and Availability of 8399-0399, 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 8399-0399 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8399-0399
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8399-0399
  • 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 8399-0399 available by request