C109-0816 Screening compound: N-benzyl-6-bromo-3-(4-ethylphenyl)-4-hydroxy-2-oxo-1,2,3,4-tetrahydroquinazoline-4-carboxamide

C109-0816 Screening compound: N-benzyl-6-bromo-3-(4-ethylphenyl)-4-hydroxy-2-oxo-1,2,3,4-tetrahydroquinazoline-4-carboxamide
C109-0816 Screening compound: N-benzyl-6-bromo-3-(4-ethylphenyl)-4-hydroxy-2-oxo-1,2,3,4-tetrahydroquinazoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C109-0816
N-benzyl-6-bromo-3-(4-ethylphenyl)-4-hydroxy-2-oxo-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

C109-0816

Molecular Formula

C24H22BrN3O3 (C24 H22 BrN3 O3)

Compound Name

N-benzyl-6-bromo-3-(4-ethylphenyl)-4-hydroxy-2-oxo-1,2,3,4-tetrahydroquinazoline-4-carboxamide

IUPAC name

N-benzyl-6-bromo-3-(4-ethylphenyl)-4-hydroxy-2-oxo-1234-tetrahydroquinazoline-4-carboxamide

SMILES

CCc(cc1)ccc1N(C(C(NCc1ccccc1)=O)(c(cc(cc1)Br)c1N1)O)C1=O

InChI

InChI=1S/C24H22BrN3O3/c1-2-16-8-11-19(12-9-16)28-23(30)27-21-13-10-18(25)14-20(21)24(28,31)22(29)26-15-17-6-4-3-5-7-17/h3-14,31H,2,15H2,1H3,(H,26,29)(H,27,30)/t24-/m1/s1

InChI Key

MHHYQOWWMHOOFC-XMMPIXPASA-N

MDL Number (MFCD)

MFCD14720276

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480.36

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.126

Distribution Coefficient, logD

5.126

Water Solubility, LogSw

-4.79

Polar Surface Area

67.105

Acid Dissociation Constant (pKa)

12.27

Base Dissociation Constant (pKb)

-1.26

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.70

C109-0816 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C109-0816 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C109-0816?
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What is the minimum amount of C109-0816 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C109-0816
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C109-0816
  • 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 C109-0816 available by request