V028-6936 Screening compound: 1-{4-[3-(2-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepan-1-yl}-2-(thiophen-2-yl)ethan-1-one

V028-6936 Screening compound: 1-{4-[3-(2-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepan-1-yl}-2-(thiophen-2-yl)ethan-1-one
V028-6936 Screening compound: 1-{4-[3-(2-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepan-1-yl}-2-(thiophen-2-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-6936
1-{4-[3-(2-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepan-1-yl}-2-(thiophen-2-yl)ethan-1-one

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

V028-6936

Molecular Formula

C27H26N6OS (C27 H26 N6 OS)

Compound Name

1-{4-[3-(2-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepan-1-yl}-2-(thiophen-2-yl)ethan-1-one

IUPAC name

1-{4-[3-(2-methylphenyl)-[124]triazolo[43-c]quinazolin-5-yl]-14-diazepan-1-yl}-2-(thiophen-2-yl)ethan-1-one

SMILES

Cc(cccc1)c1-c1nnc2n1c(N(CCC1)CCN1C(Cc1cccs1)=O)nc1c2cccc1

InChI

InChI=1S/C27H26N6OS/c1-19-8-2-3-10-21(19)25-29-30-26-22-11-4-5-12-23(22)28-27(33(25)26)32-14-7-13-31(15-16-32)24(34)18-20-9-6-17-35-20/h2-6,8-12,17H,7,13-16,18H2,1H3

InChI Key

NYSKOKMBQXKNOW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19923898

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

482.61

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.490

Distribution Coefficient, logD

4.374

Water Solubility, LogSw

-4.33

Polar Surface Area

50.271

Acid Dissociation Constant (pKa)

21.18

Base Dissociation Constant (pKb)

6.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

V028-6936 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with V028-6936 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-6936?
Check Price and Availability of V028-6936, 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 V028-6936 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-6936
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-6936
  • 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 V028-6936 available by request