C109-0728 Screening compound: 6-bromo-N-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-3-phenyl-1,2,3,4-tetrahydroquinazoline-4-carboxamide

C109-0728 Screening compound: 6-bromo-N-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-3-phenyl-1,2,3,4-tetrahydroquinazoline-4-carboxamide
C109-0728 Screening compound: 6-bromo-N-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-3-phenyl-1,2,3,4-tetrahydroquinazoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C109-0728
6-bromo-N-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-3-phenyl-1,2,3,4-tetrahydroquinazoline-4-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

C109-0728

Molecular Formula

C22H17BrFN3O3 (C22 H17 BrFN3 O3)

Compound Name

6-bromo-N-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-3-phenyl-1,2,3,4-tetrahydroquinazoline-4-carboxamide

IUPAC name

6-bromo-N-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-3-phenyl-1234-tetrahydroquinazoline-4-carboxamide

SMILES

OC(C(NCc(cc1)ccc1F)=O)(c(cc(cc1)Br)c1N1)N(c2ccccc2)C1=O

InChI

InChI=1S/C22H17BrFN3O3/c23-15-8-11-19-18(12-15)22(30,20(28)25-13-14-6-9-16(24)10-7-14)27(21(29)26-19)17-4-2-1-3-5-17/h1-12,30H,13H2,(H,25,28)(H,26,29)/t22-/m1/s1

InChI Key

HHINVXFLQYOHAD-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD14720245

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.3

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.103

Distribution Coefficient, logD

4.103

Water Solubility, LogSw

-4.27

Polar Surface Area

67.105

Acid Dissociation Constant (pKa)

12.13

Base Dissociation Constant (pKb)

-1.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

9.10

References: we are preparing a list of scientific research reports with C109-0728 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C109-0728?
Check Price and Availability of C109-0728, 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 C109-0728 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C109-0728
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C109-0728
  • 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 C109-0728 available by request