V018-3680 Screening compound: 1-{8-CHLORO-3-METHYL-[1,2,4]TRIAZOLO[4,3-C]QUINAZOLIN-5-YL}-4-CYCLOBUTANECARBONYL-1,4-DIAZEPANE

V018-3680 Screening compound: 1-{8-CHLORO-3-METHYL-[1,2,4]TRIAZOLO[4,3-C]QUINAZOLIN-5-YL}-4-CYCLOBUTANECARBONYL-1,4-DIAZEPANE
V018-3680 Screening compound: 1-{8-CHLORO-3-METHYL-[1,2,4]TRIAZOLO[4,3-C]QUINAZOLIN-5-YL}-4-CYCLOBUTANECARBONYL-1,4-DIAZEPANE alternative view

Chemical Structure Depiction of ChemDiv screening compound V018-3680
1-{8-CHLORO-3-METHYL-[1,2,4]TRIAZOLO[4,3-C]QUINAZOLIN-5-YL}-4-CYCLOBUTANECARBONYL-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

V018-3680

Molecular Formula

C20H23ClN6O (C20 H23 ClN6 O)

Compound Name

1-{8-CHLORO-3-METHYL-[1,2,4]TRIAZOLO[4,3-C]QUINAZOLIN-5-YL}-4-CYCLOBUTANECARBONYL-1,4-DIAZEPANE

IUPAC name

n/a

SMILES

Cc1nnc2n1c(N(CCC1)CCN1C(C1CCC1)=O)nc1c2ccc(Cl)c1

InChI

InChI=1S/C20H23ClN6O/c1-13-23-24-18-16-7-6-15(21)12-17(16)22-20(27(13)18)26-9-3-8-25(10-11-26)19(28)14-4-2-5-14/h6-7,12,14H,2-5,8-11H2,1H3

InChI Key

QDWOSLZUHHJWCC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19923134

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.9

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.760

Distribution Coefficient, logD

2.615

Water Solubility, LogSw

-3.38

Polar Surface Area

51.352

Acid Dissociation Constant (pKa)

21.18

Base Dissociation Constant (pKb)

7.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

V018-3680 in Drug Discovery

Included in Screening Libraries

Adenosine Receptors Targeted Library (19896 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with V018-3680 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V018-3680?
Check Price and Availability of V018-3680, 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 V018-3680 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V018-3680
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V018-3680
  • 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 V018-3680 available by request