C109-0642 Screening compound: 6-bromo-N-[2-(dimethylamino)ethyl]-4-hydroxy-3-(3-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydroquinazoline-4-carboxamide

C109-0642 Screening compound: 6-bromo-N-[2-(dimethylamino)ethyl]-4-hydroxy-3-(3-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydroquinazoline-4-carboxamide
C109-0642 Screening compound: 6-bromo-N-[2-(dimethylamino)ethyl]-4-hydroxy-3-(3-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydroquinazoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C109-0642
6-bromo-N-[2-(dimethylamino)ethyl]-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

C109-0642

Molecular Formula

C20H23BrN4O4 (C20 H23 BrN4 O4)

Compound Name

6-bromo-N-[2-(dimethylamino)ethyl]-4-hydroxy-3-(3-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydroquinazoline-4-carboxamide

IUPAC name

6-bromo-N-[2-(dimethylamino)ethyl]-4-hydroxy-3-(3-methoxyphenyl)-2-oxo-1234-tetrahydroquinazoline-4-carboxamide

SMILES

CN(C)CCNC(C(c(cc(cc1)Br)c1N1)(N(c2cc(OC)ccc2)C1=O)O)=O

InChI

InChI=1S/C20H23BrN4O4/c1-24(2)10-9-22-18(26)20(28)16-11-13(21)7-8-17(16)23-19(27)25(20)14-5-4-6-15(12-14)29-3/h4-8,11-12,28H,9-10H2,1-3H3,(H,22,26)(H,23,27)/t20-/m1/s1

InChI Key

XXHBUMJONPUMSO-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD14720205

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.33

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

2.695

Distribution Coefficient, logD

1.095

Water Solubility, LogSw

-3.22

Polar Surface Area

78.628

Acid Dissociation Constant (pKa)

12.57

Base Dissociation Constant (pKb)

8.99

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

C109-0642 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Dark Chemical Matter Library (18430 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Structure:
  • Pool

References: we are preparing a list of scientific research reports with C109-0642 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C109-0642?
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What is the minimum amount of C109-0642 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C109-0642
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C109-0642
  • 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 C109-0642 available by request