8008-4317 Screening compound: 2-({[5-(3-bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-3-(4-ethylphenyl)-4(3H)-quinazolinone

8008-4317 Screening compound: 2-({[5-(3-bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-3-(4-ethylphenyl)-4(3H)-quinazolinone
8008-4317 Screening compound: 2-({[5-(3-bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-3-(4-ethylphenyl)-4(3H)-quinazolinone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-4317
2-({[5-(3-bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-3-(4-ethylphenyl)-4(3H)-quinazolinone

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

8008-4317

Molecular Formula

C31H24BrN5OS (C31 H24 BrN5 OS)

Compound Name

2-({[5-(3-bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-3-(4-ethylphenyl)-4(3H)-quinazolinone

IUPAC name

2-({[5-(3-bromophenyl)-4-phenyl-4H-124-triazol-3-yl]sulfanyl}methyl)-3-(4-ethylphenyl)-34-dihydroquinazolin-4-one

SMILES

CCc(cc1)ccc1N(C(CSc1nnc(-c2cccc(Br)c2)n1-c1ccccc1)=Nc1c2cccc1)C2=O

InChI

InChI=1S/C31H24BrN5OS/c1-2-21-15-17-25(18-16-21)36-28(33-27-14-7-6-13-26(27)30(36)38)20-39-31-35-34-29(22-9-8-10-23(32)19-22)37(31)24-11-4-3-5-12-24/h3-19H,2,20H2,1H3

InChI Key

MAIFHHXJLWNXPJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01306427

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

594.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.821

Distribution Coefficient, logD

6.815

Water Solubility, LogSw

-5.70

Polar Surface Area

49.340

Acid Dissociation Constant (pKa)

16.24

Base Dissociation Constant (pKb)

5.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.68

References: we are preparing a list of scientific research reports with 8008-4317 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-4317?
Check Price and Availability of 8008-4317, 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 8008-4317 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-4317
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-4317
  • 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 8008-4317 available by request