C445-0138 Screening compound: N-cyclohexyl-2-{[8,9-dimethoxy-2-(4-nitrophenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}acetamide

C445-0138 Screening compound: N-cyclohexyl-2-{[8,9-dimethoxy-2-(4-nitrophenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}acetamide
C445-0138 Screening compound: N-cyclohexyl-2-{[8,9-dimethoxy-2-(4-nitrophenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C445-0138
N-cyclohexyl-2-{[8,9-dimethoxy-2-(4-nitrophenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}acetamide

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

C445-0138

Molecular Formula

C25H26N6O5S (C25 H26 N6 O5 S)

Compound Name

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

IUPAC name

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

SMILES

COc(c(OC)c1)cc(c2nc(-c(cc3)ccc3[N+]([O-])=O)nn22)c1nc2SCC(NC1CCCCC1)=O

InChI

InChI=1S/C25H26N6O5S/c1-35-20-12-18-19(13-21(20)36-2)27-25(37-14-22(32)26-16-6-4-3-5-7-16)30-24(18)28-23(29-30)15-8-10-17(11-9-15)31(33)34/h8-13,16H,3-7,14H2,1-2H3,(H,26,32)

InChI Key

LBMJGNQALPDIBE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14758428

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

522.58

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

4.646

Distribution Coefficient, logD

4.637

Water Solubility, LogSw

-4.48

Polar Surface Area

102.636

Acid Dissociation Constant (pKa)

15.79

Base Dissociation Constant (pKb)

5.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

References: we are preparing a list of scientific research reports with C445-0138 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C445-0138?
Check Price and Availability of C445-0138, 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 C445-0138 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C445-0138
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C445-0138
  • 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 C445-0138 available by request