E881-0004 Screening compound: 1-{3-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl}-4-(4-nitrophenyl)piperazine

E881-0004 Screening compound: 1-{3-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl}-4-(4-nitrophenyl)piperazine
E881-0004 Screening compound: 1-{3-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl}-4-(4-nitrophenyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound E881-0004
1-{3-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl}-4-(4-nitrophenyl)piperazine

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

E881-0004

Molecular Formula

C20H19N7O2 (C20 H19 N7 O2)

Compound Name

1-{3-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl}-4-(4-nitrophenyl)piperazine

IUPAC name

1-{3-methyl-[124]triazolo[43-c]quinazolin-5-yl}-4-(4-nitrophenyl)piperazine

SMILES

Cc1nnc2n1c(N(CC1)CCN1c(cc1)ccc1[N+]([O-])=O)nc1c2cccc1

InChI

InChI=1S/C20H19N7O2/c1-14-22-23-19-17-4-2-3-5-18(17)21-20(26(14)19)25-12-10-24(11-13-25)15-6-8-16(9-7-15)27(28)29/h2-9H,10-13H2,1H3

InChI Key

XPQBDYWVKFUWLO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09696500

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.162

Distribution Coefficient, logD

3.017

Water Solubility, LogSw

-3.20

Polar Surface Area

70.683

Acid Dissociation Constant (pKa)

20.66

Base Dissociation Constant (pKb)

7.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with E881-0004 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E881-0004?
Check Price and Availability of E881-0004, 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 E881-0004 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E881-0004
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E881-0004
  • 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 E881-0004 available by request