3914-0058 Screening compound: 6-bromo-4-(2-chlorophenyl)-2-(4-cyclohexanecarbonylpiperazin-1-yl)quinazoline

3914-0058 Screening compound: 6-bromo-4-(2-chlorophenyl)-2-(4-cyclohexanecarbonylpiperazin-1-yl)quinazoline
3914-0058 Screening compound: 6-bromo-4-(2-chlorophenyl)-2-(4-cyclohexanecarbonylpiperazin-1-yl)quinazoline alternative view

Chemical Structure Depiction of ChemDiv screening compound 3914-0058
6-bromo-4-(2-chlorophenyl)-2-(4-cyclohexanecarbonylpiperazin-1-yl)quinazoline

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

3914-0058

Molecular Formula

C25H26BrClN4O (C25 H26 BrClN4 O)

Compound Name

6-bromo-4-(2-chlorophenyl)-2-(4-cyclohexanecarbonylpiperazin-1-yl)quinazoline

IUPAC name

6-bromo-4-(2-chlorophenyl)-2-(4-cyclohexanecarbonylpiperazin-1-yl)quinazoline

SMILES

O=C(C1CCCCC1)N(CC1)CCN1c1nc(-c(cccc2)c2Cl)c(cc(cc2)Br)c2n1

InChI

InChI=1S/C25H26BrClN4O/c26-18-10-11-22-20(16-18)23(19-8-4-5-9-21(19)27)29-25(28-22)31-14-12-30(13-15-31)24(32)17-6-2-1-3-7-17/h4-5,8-11,16-17H,1-3,6-7,12-15H2

InChI Key

INQKCOSMXJNKQC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06290384

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

513.86

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.821

Distribution Coefficient, logD

6.821

Water Solubility, LogSw

-6.44

Polar Surface Area

38.051

Acid Dissociation Constant (pKa)

21.22

Base Dissociation Constant (pKb)

4.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

3914-0058 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 3914-0058 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3914-0058?
Check Price and Availability of 3914-0058, 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 3914-0058 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3914-0058
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3914-0058
  • 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 3914-0058 available by request