V016-5854 Screening compound: 1-[3-(4-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-4-(thiophene-2-carbonyl)-1,4-diazepane

V016-5854 Screening compound: 1-[3-(4-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-4-(thiophene-2-carbonyl)-1,4-diazepane
V016-5854 Screening compound: 1-[3-(4-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-4-(thiophene-2-carbonyl)-1,4-diazepane alternative view

Chemical Structure Depiction of ChemDiv screening compound V016-5854
1-[3-(4-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-4-(thiophene-2-carbonyl)-1,4-diazepane

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

V016-5854

Molecular Formula

C26H24N6OS (C26 H24 N6 OS)

Compound Name

1-[3-(4-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-4-(thiophene-2-carbonyl)-1,4-diazepane

IUPAC name

1-[3-(4-methylphenyl)-[124]triazolo[43-c]quinazolin-5-yl]-4-(thiophene-2-carbonyl)-14-diazepane

SMILES

Cc(cc1)ccc1-c1nnc2n1c(N(CCC1)CCN1C(c1cccs1)=O)nc1c2cccc1

InChI

InChI=1S/C26H24N6OS/c1-18-9-11-19(12-10-18)23-28-29-24-20-6-2-3-7-21(20)27-26(32(23)24)31-14-5-13-30(15-16-31)25(33)22-8-4-17-34-22/h2-4,6-12,17H,5,13-16H2,1H3

InChI Key

CWXFQMXKRAGCMJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19902185

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

468.58

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.136

Distribution Coefficient, logD

5.074

Water Solubility, LogSw

-5.16

Polar Surface Area

50.799

Acid Dissociation Constant (pKa)

21.10

Base Dissociation Constant (pKb)

6.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

References: we are preparing a list of scientific research reports with V016-5854 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V016-5854?
Check Price and Availability of V016-5854, 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 V016-5854 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V016-5854
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V016-5854
  • 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 V016-5854 available by request