6023-0013 Screening compound: 2-[({5-phenyl-[1,2,4]triazolo[4,3-c]quinazolin-3-yl}sulfanyl)methyl]-1H-1,3-benzodiazole

6023-0013 Screening compound: 2-[({5-phenyl-[1,2,4]triazolo[4,3-c]quinazolin-3-yl}sulfanyl)methyl]-1H-1,3-benzodiazole
6023-0013 Screening compound: 2-[({5-phenyl-[1,2,4]triazolo[4,3-c]quinazolin-3-yl}sulfanyl)methyl]-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 6023-0013
2-[({5-phenyl-[1,2,4]triazolo[4,3-c]quinazolin-3-yl}sulfanyl)methyl]-1H-1,3-benzodiazole

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

6023-0013

Molecular Formula

C23H16N6S (C23 H16 N6 S)

Compound Name

2-[({5-phenyl-[1,2,4]triazolo[4,3-c]quinazolin-3-yl}sulfanyl)methyl]-1H-1,3-benzodiazole

IUPAC name

2-[({5-phenyl-[124]triazolo[43-c]quinazolin-3-yl}sulfanyl)methyl]-1H-13-benzodiazole

SMILES

C(c1nc(cccc2)c2[nH]1)Sc1nnc2n1c(-c1ccccc1)nc1c2cccc1

InChI

InChI=1S/C23H16N6S/c1-2-8-15(9-3-1)21-26-17-11-5-4-10-16(17)22-27-28-23(29(21)22)30-14-20-24-18-12-6-7-13-19(18)25-20/h1-13H,14H2,(H,24,25)

InChI Key

SRQLADHASCNLDV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03924460

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.185

Distribution Coefficient, logD

5.172

Water Solubility, LogSw

-5.72

Polar Surface Area

50.592

Acid Dissociation Constant (pKa)

12.34

Base Dissociation Constant (pKb)

5.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.30

6023-0013 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 6023-0013 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6023-0013?
Check Price and Availability of 6023-0013, 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 6023-0013 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6023-0013
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6023-0013
  • 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 6023-0013 available by request