D583-1754 Screening compound: N-[(4-ethyl-5-{[(4-oxo-3,4-dihydroquinazolin-2-yl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-N-phenylmethanesulfonamide

D583-1754 Screening compound: N-[(4-ethyl-5-{[(4-oxo-3,4-dihydroquinazolin-2-yl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-N-phenylmethanesulfonamide
D583-1754 Screening compound: N-[(4-ethyl-5-{[(4-oxo-3,4-dihydroquinazolin-2-yl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-N-phenylmethanesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D583-1754
N-[(4-ethyl-5-{[(4-oxo-3,4-dihydroquinazolin-2-yl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-N-phenylmethanesulfonamide

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

D583-1754

Molecular Formula

C21H22N6O3S2 (C21 H22 N6 O3 S2)

Compound Name

N-[(4-ethyl-5-{[(4-oxo-3,4-dihydroquinazolin-2-yl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-N-phenylmethanesulfonamide

IUPAC name

N-[(4-ethyl-5-{[(4-oxo-34-dihydroquinazolin-2-yl)methyl]sulfanyl}-4H-124-triazol-3-yl)methyl]-N-phenylmethanesulfonamide

SMILES

CCn1c(SCC(N2)=Nc(cccc3)c3C2=O)nnc1CN(c1ccccc1)S(C)(=O)=O

InChI

InChI=1S/C21H22N6O3S2/c1-3-26-19(13-27(32(2,29)30)15-9-5-4-6-10-15)24-25-21(26)31-14-18-22-17-12-8-7-11-16(17)20(28)23-18/h4-12H,3,13-14H2,1-2H3,(H,22,23,28)

InChI Key

PQUXITIIDWMIAI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14833943

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.58

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.736

Distribution Coefficient, logD

1.735

Water Solubility, LogSw

-2.83

Polar Surface Area

91.465

Acid Dissociation Constant (pKa)

9.85

Base Dissociation Constant (pKb)

4.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

D583-1754 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 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 D583-1754 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D583-1754?
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What is the minimum amount of D583-1754 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D583-1754
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D583-1754
  • 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 D583-1754 available by request