C109-0883 Screening compound: 6-bromo-3-(3,4-dimethylphenyl)-4-hydroxy-2-oxo-N-[3-(piperidin-1-yl)propyl]-1,2,3,4-tetrahydroquinazoline-4-carboxamide

C109-0883 Screening compound: 6-bromo-3-(3,4-dimethylphenyl)-4-hydroxy-2-oxo-N-[3-(piperidin-1-yl)propyl]-1,2,3,4-tetrahydroquinazoline-4-carboxamide
C109-0883 Screening compound: 6-bromo-3-(3,4-dimethylphenyl)-4-hydroxy-2-oxo-N-[3-(piperidin-1-yl)propyl]-1,2,3,4-tetrahydroquinazoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C109-0883
6-bromo-3-(3,4-dimethylphenyl)-4-hydroxy-2-oxo-N-[3-(piperidin-1-yl)propyl]-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

C109-0883

Molecular Formula

C25H31BrN4O3 (C25 H31 BrN4 O3)

Compound Name

6-bromo-3-(3,4-dimethylphenyl)-4-hydroxy-2-oxo-N-[3-(piperidin-1-yl)propyl]-1,2,3,4-tetrahydroquinazoline-4-carboxamide

IUPAC name

6-bromo-3-(34-dimethylphenyl)-4-hydroxy-2-oxo-N-[3-(piperidin-1-yl)propyl]-1234-tetrahydroquinazoline-4-carboxamide

SMILES

Cc(cc1)c(C)cc1N(C(C(NCCCN1CCCCC1)=O)(c(cc(cc1)Br)c1N1)O)C1=O

InChI

InChI=1S/C25H31BrN4O3/c1-17-7-9-20(15-18(17)2)30-24(32)28-22-10-8-19(26)16-21(22)25(30,33)23(31)27-11-6-14-29-12-4-3-5-13-29/h7-10,15-16,33H,3-6,11-14H2,1-2H3,(H,27,31)(H,28,32)/t25-/m1/s1

InChI Key

WBZTYLFYOYWDPH-RUZDIDTESA-N

MDL Number (MFCD)

MFCD14720298

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

515.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.631

Distribution Coefficient, logD

1.977

Water Solubility, LogSw

-4.14

Polar Surface Area

70.929

Acid Dissociation Constant (pKa)

12.99

Base Dissociation Constant (pKb)

10.05

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.00

C109-0883 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C109-0883 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C109-0883?
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What is the minimum amount of C109-0883 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C109-0883
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C109-0883
  • 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 C109-0883 available by request