C109-0745 Screening compound: 6-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-hydroxy-3-(3-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydroquinazoline-4-carboxamide

C109-0745 Screening compound: 6-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-hydroxy-3-(3-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydroquinazoline-4-carboxamide
C109-0745 Screening compound: 6-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-hydroxy-3-(3-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydroquinazoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C109-0745
6-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-hydroxy-3-(3-methoxyphenyl)-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

C109-0745

Molecular Formula

C23H27BrN4O4 (C23 H27 BrN4 O4)

Compound Name

6-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-hydroxy-3-(3-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydroquinazoline-4-carboxamide

IUPAC name

6-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-hydroxy-3-(3-methoxyphenyl)-2-oxo-1234-tetrahydroquinazoline-4-carboxamide

SMILES

CCN1C(CNC(C(c(cc(cc2)Br)c2N2)(N(c3cc(OC)ccc3)C2=O)O)=O)CCC1

InChI

InChI=1S/C23H27BrN4O4/c1-3-27-11-5-7-17(27)14-25-21(29)23(31)19-12-15(24)9-10-20(19)26-22(30)28(23)16-6-4-8-18(13-16)32-2/h4,6,8-10,12-13,17,31H,3,5,7,11,14H2,1-2H3,(H,25,29)(H,26,30)

InChI Key

RYPFUQLCGLALBC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14720251

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

503.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.355

Distribution Coefficient, logD

2.118

Water Solubility, LogSw

-3.53

Polar Surface Area

78.556

Acid Dissociation Constant (pKa)

12.57

Base Dissociation Constant (pKb)

8.61

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

39.10

C109-0745 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C109-0745 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C109-0745?
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What is the minimum amount of C109-0745 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C109-0745
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C109-0745
  • 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 C109-0745 available by request