F453-0057 Screening compound: 4-{6,6-dimethyl-3-[(4-methylphenyl)carbamoyl]-8-oxo-4H,5H,6H,7H,8H,9H-pyrazolo[3,2-b]quinazolin-9-yl}benzoic acid

F453-0057 Screening compound: 4-{6,6-dimethyl-3-[(4-methylphenyl)carbamoyl]-8-oxo-4H,5H,6H,7H,8H,9H-pyrazolo[3,2-b]quinazolin-9-yl}benzoic acid
F453-0057 Screening compound: 4-{6,6-dimethyl-3-[(4-methylphenyl)carbamoyl]-8-oxo-4H,5H,6H,7H,8H,9H-pyrazolo[3,2-b]quinazolin-9-yl}benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound F453-0057
4-{6,6-dimethyl-3-[(4-methylphenyl)carbamoyl]-8-oxo-4H,5H,6H,7H,8H,9H-pyrazolo[3,2-b]quinazolin-9-yl}benzoic acid

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

F453-0057

Molecular Formula

C27H26N4O4 (C27 H26 N4 O4)

Compound Name

4-{6,6-dimethyl-3-[(4-methylphenyl)carbamoyl]-8-oxo-4H,5H,6H,7H,8H,9H-pyrazolo[3,2-b]quinazolin-9-yl}benzoic acid

IUPAC name

4-{66-dimethyl-3-[(4-methylphenyl)carbamoyl]-8-oxo-4H5H6H7H8H9H-pyrazolo[32-b]quinazolin-9-yl}benzoic acid

SMILES

CC(C)(C1)CC(Nc(n(C2c(cc3)ccc3C(O)=O)nc3)c3C(Nc3ccc(C)cc3)=O)=C2C1=O

InChI

InChI=1S/C27H26N4O4/c1-15-4-10-18(11-5-15)29-25(33)19-14-28-31-23(16-6-8-17(9-7-16)26(34)35)22-20(30-24(19)31)12-27(2,3)13-21(22)32/h4-11,14,23,30H,12-13H2,1-3H3,(H,29,33)(H,34,35)/t23-/m0/s1

InChI Key

LMCPKZWBBQEFTD-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD18175600

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.648

Distribution Coefficient, logD

1.676

Water Solubility, LogSw

-4.24

Polar Surface Area

89.230

Acid Dissociation Constant (pKa)

4.43

Base Dissociation Constant (pKb)

-2.06

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.90

F453-0057 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with F453-0057 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F453-0057?
Check Price and Availability of F453-0057, 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 F453-0057 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F453-0057
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F453-0057
  • 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 F453-0057 available by request