F072-1294 Screening compound: 3-benzyl-2-(diethylamino)-7-[4-(pyridin-2-yl)piperazine-1-carbonyl]-3,4-dihydroquinazolin-4-one

F072-1294 Screening compound: 3-benzyl-2-(diethylamino)-7-[4-(pyridin-2-yl)piperazine-1-carbonyl]-3,4-dihydroquinazolin-4-one
F072-1294 Screening compound: 3-benzyl-2-(diethylamino)-7-[4-(pyridin-2-yl)piperazine-1-carbonyl]-3,4-dihydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F072-1294
3-benzyl-2-(diethylamino)-7-[4-(pyridin-2-yl)piperazine-1-carbonyl]-3,4-dihydroquinazolin-4-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

F072-1294

Molecular Formula

C29H32N6O2 (C29 H32 N6 O2)

Compound Name

3-benzyl-2-(diethylamino)-7-[4-(pyridin-2-yl)piperazine-1-carbonyl]-3,4-dihydroquinazolin-4-one

IUPAC name

3-benzyl-2-(diethylamino)-7-[4-(pyridin-2-yl)piperazine-1-carbonyl]-34-dihydroquinazolin-4-one

SMILES

CCN(CC)C(N1Cc2ccccc2)=Nc(cc(cc2)C(N(CC3)CCN3c3ncccc3)=O)c2C1=O

InChI

InChI=1S/C29H32N6O2/c1-3-32(4-2)29-31-25-20-23(13-14-24(25)28(37)35(29)21-22-10-6-5-7-11-22)27(36)34-18-16-33(17-19-34)26-12-8-9-15-30-26/h5-15,20H,3-4,16-19,21H2,1-2H3

InChI Key

AETJAAIZFRNLDG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27099351

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.61

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.822

Distribution Coefficient, logD

3.813

Water Solubility, LogSw

-3.90

Polar Surface Area

56.526

Acid Dissociation Constant (pKa)

24.69

Base Dissociation Constant (pKb)

5.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.00

F072-1294 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 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 F072-1294 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F072-1294?
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What is the minimum amount of F072-1294 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F072-1294
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F072-1294
  • 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 F072-1294 available by request