C109-0621 Screening compound: 6-bromo-N-cyclooctyl-4-hydroxy-3-(3-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydroquinazoline-4-carboxamide

C109-0621 Screening compound: 6-bromo-N-cyclooctyl-4-hydroxy-3-(3-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydroquinazoline-4-carboxamide
C109-0621 Screening compound: 6-bromo-N-cyclooctyl-4-hydroxy-3-(3-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydroquinazoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C109-0621
6-bromo-N-cyclooctyl-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

C109-0621

Molecular Formula

C24H28BrN3O4 (C24 H28 BrN3 O4)

Compound Name

6-bromo-N-cyclooctyl-4-hydroxy-3-(3-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydroquinazoline-4-carboxamide

IUPAC name

6-bromo-N-cyclooctyl-4-hydroxy-3-(3-methoxyphenyl)-2-oxo-1234-tetrahydroquinazoline-4-carboxamide

SMILES

COc1cccc(N(C(C(NC2CCCCCCC2)=O)(c(cc(cc2)Br)c2N2)O)C2=O)c1

InChI

InChI=1S/C24H28BrN3O4/c1-32-19-11-7-10-18(15-19)28-23(30)27-21-13-12-16(25)14-20(21)24(28,31)22(29)26-17-8-5-3-2-4-6-9-17/h7,10-15,17,31H,2-6,8-9H2,1H3,(H,26,29)(H,27,30)/t24-/m1/s1

InChI Key

OGCQVUQSUJIRSS-XMMPIXPASA-N

MDL Number (MFCD)

MFCD14720199

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

502.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.711

Distribution Coefficient, logD

5.711

Water Solubility, LogSw

-5.18

Polar Surface Area

74.705

Acid Dissociation Constant (pKa)

12.57

Base Dissociation Constant (pKb)

1.64

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.70

References: we are preparing a list of scientific research reports with C109-0621 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C109-0621?
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What is the minimum amount of C109-0621 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C109-0621
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C109-0621
  • 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 C109-0621 available by request