C336-0043 Screening compound: 5-{[(7-BROMO-4-OXO-4H-PYRIDO[1,2-A]PYRIMIDIN-2-YL)METHYL]SULFANYL}-3-PHENYLIMIDAZO[1,2-C]QUINAZOLIN-2(3H)-ONE

C336-0043 Screening compound: 5-{[(7-BROMO-4-OXO-4H-PYRIDO[1,2-A]PYRIMIDIN-2-YL)METHYL]SULFANYL}-3-PHENYLIMIDAZO[1,2-C]QUINAZOLIN-2(3H)-ONE
C336-0043 Screening compound: 5-{[(7-BROMO-4-OXO-4H-PYRIDO[1,2-A]PYRIMIDIN-2-YL)METHYL]SULFANYL}-3-PHENYLIMIDAZO[1,2-C]QUINAZOLIN-2(3H)-ONE alternative view

Chemical Structure Depiction of ChemDiv screening compound C336-0043
5-{[(7-BROMO-4-OXO-4H-PYRIDO[1,2-A]PYRIMIDIN-2-YL)METHYL]SULFANYL}-3-PHENYLIMIDAZO[1,2-C]QUINAZOLIN-2(3H)-ONE

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

C336-0043

Molecular Formula

C25H16BrN5O2S (C25 H16 BrN5 O2 S)

Compound Name

5-{[(7-BROMO-4-OXO-4H-PYRIDO[1,2-A]PYRIMIDIN-2-YL)METHYL]SULFANYL}-3-PHENYLIMIDAZO[1,2-C]QUINAZOLIN-2(3H)-ONE

IUPAC name

n/a

SMILES

O=C(C1c2ccccc2)N=C2N1C(SCC(N=C(C=C1)N3C=C1Br)=CC3=O)=Nc1c2cccc1

InChI

InChI=1S/C25H16BrN5O2S/c26-16-10-11-20-27-17(12-21(32)30(20)13-16)14-34-25-28-19-9-5-4-8-18(19)23-29-24(33)22(31(23)25)15-6-2-1-3-7-15/h1-13,22H,14H2/t22-/m1/s1

InChI Key

UBMAOYHHZKJCJB-JOCHJYFZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

530.4

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.148

Distribution Coefficient, logD

3.144

Water Solubility, LogSw

-3.70

Polar Surface Area

61.705

Acid Dissociation Constant (pKa)

9.60

Base Dissociation Constant (pKb)

4.71

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

8.00

References: we are preparing a list of scientific research reports with C336-0043 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C336-0043?
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What is the minimum amount of C336-0043 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C336-0043
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C336-0043
  • 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 C336-0043 available by request