C445-0150 Screening compound: 2-{[8,9-dimethoxy-2-(4-nitrophenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}-N-[(furan-2-yl)methyl]butanamide

C445-0150 Screening compound: 2-{[8,9-dimethoxy-2-(4-nitrophenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}-N-[(furan-2-yl)methyl]butanamide
C445-0150 Screening compound: 2-{[8,9-dimethoxy-2-(4-nitrophenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}-N-[(furan-2-yl)methyl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C445-0150
2-{[8,9-dimethoxy-2-(4-nitrophenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}-N-[(furan-2-yl)methyl]butanamide

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

C445-0150

Molecular Formula

C26H24N6O6S (C26 H24 N6 O6 S)

Compound Name

2-{[8,9-dimethoxy-2-(4-nitrophenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}-N-[(furan-2-yl)methyl]butanamide

IUPAC name

2-{[89-dimethoxy-2-(4-nitrophenyl)-[124]triazolo[15-c]quinazolin-5-yl]sulfanyl}-N-[(furan-2-yl)methyl]butanamide

SMILES

CCC(C(NCc1ccco1)=O)Sc1nc(cc(c(OC)c2)OC)c2c2nc(-c(cc3)ccc3[N+]([O-])=O)nn12

InChI

InChI=1S/C26H24N6O6S/c1-4-22(25(33)27-14-17-6-5-11-38-17)39-26-28-19-13-21(37-3)20(36-2)12-18(19)24-29-23(30-31(24)26)15-7-9-16(10-8-15)32(34)35/h5-13,22H,4,14H2,1-3H3,(H,27,33)/t22-/m0/s1

InChI Key

RLCLQBKHSMPPFX-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD14758439

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

548.58

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

4.967

Distribution Coefficient, logD

4.958

Water Solubility, LogSw

-4.80

Polar Surface Area

110.873

Acid Dissociation Constant (pKa)

12.68

Base Dissociation Constant (pKb)

5.73

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.10

C445-0150 in Drug Discovery

Included in Screening Libraries

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

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with C445-0150 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C445-0150?
Check Price and Availability of C445-0150, 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 C445-0150 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C445-0150
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C445-0150
  • 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 C445-0150 available by request