F072-1139 Screening compound: 3-benzyl-N-[2-(cyclohex-1-en-1-yl)ethyl]-4-oxo-2-(pyrrolidin-1-yl)-3,4-dihydroquinazoline-7-carboxamide

F072-1139 Screening compound: 3-benzyl-N-[2-(cyclohex-1-en-1-yl)ethyl]-4-oxo-2-(pyrrolidin-1-yl)-3,4-dihydroquinazoline-7-carboxamide
F072-1139 Screening compound: 3-benzyl-N-[2-(cyclohex-1-en-1-yl)ethyl]-4-oxo-2-(pyrrolidin-1-yl)-3,4-dihydroquinazoline-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F072-1139
3-benzyl-N-[2-(cyclohex-1-en-1-yl)ethyl]-4-oxo-2-(pyrrolidin-1-yl)-3,4-dihydroquinazoline-7-carboxamide

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

F072-1139

Molecular Formula

C28H32N4O2 (C28 H32 N4 O2)

Compound Name

3-benzyl-N-[2-(cyclohex-1-en-1-yl)ethyl]-4-oxo-2-(pyrrolidin-1-yl)-3,4-dihydroquinazoline-7-carboxamide

IUPAC name

3-benzyl-N-[2-(cyclohex-1-en-1-yl)ethyl]-4-oxo-2-(pyrrolidin-1-yl)-34-dihydroquinazoline-7-carboxamide

SMILES

O=C(c(cc1)cc(N=C(N2CCCC2)N2Cc3ccccc3)c1C2=O)NCCC1=CCCCC1

InChI

InChI=1S/C28H32N4O2/c33-26(29-16-15-21-9-3-1-4-10-21)23-13-14-24-25(19-23)30-28(31-17-7-8-18-31)32(27(24)34)20-22-11-5-2-6-12-22/h2,5-6,9,11-14,19H,1,3-4,7-8,10,15-18,20H2,(H,29,33)

InChI Key

HIBACALROJOCOT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27099282

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.59

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.391

Distribution Coefficient, logD

4.391

Water Solubility, LogSw

-4.30

Polar Surface Area

53.636

Acid Dissociation Constant (pKa)

13.47

Base Dissociation Constant (pKb)

0.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.30

F072-1139 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 F072-1139 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F072-1139?
Check Price and Availability of F072-1139, 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 F072-1139 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F072-1139
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F072-1139
  • 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 F072-1139 available by request