C200-2345 Screening compound: 4-benzyl-1-{3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl}-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-5-one

C200-2345 Screening compound: 4-benzyl-1-{3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl}-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-5-one
C200-2345 Screening compound: 4-benzyl-1-{3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl}-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-2345
4-benzyl-1-{3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl}-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-5-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

C200-2345

Molecular Formula

C28H26N6O4 (C28 H26 N6 O4)

Compound Name

4-benzyl-1-{3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl}-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-5-one

IUPAC name

4-benzyl-1-{3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl}-4H5H-[124]triazolo[43-a]quinazolin-5-one

SMILES

O=C(CCc(n1-c2c3cccc2)nnc1N(Cc1ccccc1)C3=O)N(CC1)CCN1C(c1ccco1)=O

InChI

InChI=1S/C28H26N6O4/c35-25(31-14-16-32(17-15-31)27(37)23-11-6-18-38-23)13-12-24-29-30-28-33(19-20-7-2-1-3-8-20)26(36)21-9-4-5-10-22(21)34(24)28/h1-11,18H,12-17,19H2

InChI Key

DQOZMQVJWMIZHT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14726464

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

510.55

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.700

Distribution Coefficient, logD

1.700

Water Solubility, LogSw

-2.40

Polar Surface Area

81.133

Acid Dissociation Constant (pKa)

21.41

Base Dissociation Constant (pKb)

-2.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

C200-2345 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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 C200-2345 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-2345?
Check Price and Availability of C200-2345, 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 C200-2345 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-2345
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-2345
  • 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 C200-2345 available by request