C445-0300 Screening compound: 1-[2-(8,9-dimethoxy-5-{[(4-nitrophenyl)methyl]sulfanyl}-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)ethyl]-2-methyl-1H-1,3-benzodiazole

C445-0300 Screening compound: 1-[2-(8,9-dimethoxy-5-{[(4-nitrophenyl)methyl]sulfanyl}-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)ethyl]-2-methyl-1H-1,3-benzodiazole
C445-0300 Screening compound: 1-[2-(8,9-dimethoxy-5-{[(4-nitrophenyl)methyl]sulfanyl}-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)ethyl]-2-methyl-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound C445-0300
1-[2-(8,9-dimethoxy-5-{[(4-nitrophenyl)methyl]sulfanyl}-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)ethyl]-2-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

C445-0300

Molecular Formula

C28H25N7O4S (C28 H25 N7 O4 S)

Compound Name

1-[2-(8,9-dimethoxy-5-{[(4-nitrophenyl)methyl]sulfanyl}-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)ethyl]-2-methyl-1H-1,3-benzodiazole

IUPAC name

1-[2-(89-dimethoxy-5-{[(4-nitrophenyl)methyl]sulfanyl}-[124]triazolo[15-c]quinazolin-2-yl)ethyl]-2-methyl-1H-13-benzodiazole

SMILES

Cc1nc(cccc2)c2n1CCc1nn2c(SCc(cc3)ccc3[N+]([O-])=O)nc(cc(c(OC)c3)OC)c3c2n1

InChI

InChI=1S/C28H25N7O4S/c1-17-29-21-6-4-5-7-23(21)33(17)13-12-26-31-27-20-14-24(38-2)25(39-3)15-22(20)30-28(34(27)32-26)40-16-18-8-10-19(11-9-18)35(36)37/h4-11,14-15H,12-13,16H2,1-3H3

InChI Key

DQVORACENWSLBX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14758522

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

555.62

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

4.764

Distribution Coefficient, logD

4.623

Water Solubility, LogSw

-4.69

Polar Surface Area

90.385

Acid Dissociation Constant (pKa)

23.33

Base Dissociation Constant (pKb)

6.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

References: we are preparing a list of scientific research reports with C445-0300 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C445-0300?
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What is the minimum amount of C445-0300 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C445-0300
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C445-0300
  • 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 C445-0300 available by request