C445-0165 Screening compound: N-benzyl-2-{[8,9-dimethoxy-2-(4-nitrophenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}-N-ethylacetamide

C445-0165 Screening compound: N-benzyl-2-{[8,9-dimethoxy-2-(4-nitrophenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}-N-ethylacetamide
C445-0165 Screening compound: N-benzyl-2-{[8,9-dimethoxy-2-(4-nitrophenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}-N-ethylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C445-0165
N-benzyl-2-{[8,9-dimethoxy-2-(4-nitrophenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}-N-ethylacetamide

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

C445-0165

Molecular Formula

C28H26N6O5S (C28 H26 N6 O5 S)

Compound Name

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

IUPAC name

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

SMILES

CCN(Cc1ccccc1)C(CSc1nc(cc(c(OC)c2)OC)c2c2nc(-c(cc3)ccc3[N+]([O-])=O)nn12)=O

InChI

InChI=1S/C28H26N6O5S/c1-4-32(16-18-8-6-5-7-9-18)25(35)17-40-28-29-22-15-24(39-3)23(38-2)14-21(22)27-30-26(31-33(27)28)19-10-12-20(13-11-19)34(36)37/h5-15H,4,16-17H2,1-3H3

InChI Key

FVTWLANCCRFBPW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14758453

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

558.62

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

4.984

Distribution Coefficient, logD

4.937

Water Solubility, LogSw

-4.83

Polar Surface Area

94.119

Acid Dissociation Constant (pKa)

18.57

Base Dissociation Constant (pKb)

6.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

References: we are preparing a list of scientific research reports with C445-0165 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C445-0165?
Check Price and Availability of C445-0165, 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 C445-0165 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C445-0165
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C445-0165
  • 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 C445-0165 available by request