C462-0065 Screening compound: methyl 3-{8,9-dimethoxy-3-oxo-5-sulfanylidene-2H,3H,5H,6H-imidazo[1,2-c]quinazolin-2-yl}propanoate

C462-0065 Screening compound: methyl 3-{8,9-dimethoxy-3-oxo-5-sulfanylidene-2H,3H,5H,6H-imidazo[1,2-c]quinazolin-2-yl}propanoate
C462-0065 Screening compound: methyl 3-{8,9-dimethoxy-3-oxo-5-sulfanylidene-2H,3H,5H,6H-imidazo[1,2-c]quinazolin-2-yl}propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C462-0065
methyl 3-{8,9-dimethoxy-3-oxo-5-sulfanylidene-2H,3H,5H,6H-imidazo[1,2-c]quinazolin-2-yl}propanoate

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

C462-0065

Molecular Formula

C16H17N3O5S (C16 H17 N3 O5 S)

Compound Name

methyl 3-{8,9-dimethoxy-3-oxo-5-sulfanylidene-2H,3H,5H,6H-imidazo[1,2-c]quinazolin-2-yl}propanoate

IUPAC name

methyl 3-{89-dimethoxy-3-oxo-5-sulfanylidene-2H3H5H6H-imidazo[12-c]quinazolin-2-yl}propanoate

SMILES

COC(CCC(C1=O)N=C(c(cc(c(OC)c2)OC)c2N2)N1C2=S)=O

InChI

InChI=1S/C16H17N3O5S/c1-22-11-6-8-10(7-12(11)23-2)18-16(25)19-14(8)17-9(15(19)21)4-5-13(20)24-3/h6-7,9H,4-5H2,1-3H3,(H,18,25)/t9-/m1/s1

InChI Key

WZPOFEPFUOQTBT-SECBINFHSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.39

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.056

Distribution Coefficient, logD

-0.195

Water Solubility, LogSw

-2.45

Polar Surface Area

73.356

Acid Dissociation Constant (pKa)

7.40

Base Dissociation Constant (pKb)

8.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

References: we are preparing a list of scientific research reports with C462-0065 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C462-0065?
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What is the minimum amount of C462-0065 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C462-0065
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C462-0065
  • 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 C462-0065 available by request