C462-0081 Screening compound: 3-{8,9-dimethoxy-3-oxo-5-sulfanylidene-2H,3H,5H,6H-imidazo[1,2-c]quinazolin-2-yl}-N-{3-[ethyl(phenyl)amino]propyl}propanamide

C462-0081 Screening compound: 3-{8,9-dimethoxy-3-oxo-5-sulfanylidene-2H,3H,5H,6H-imidazo[1,2-c]quinazolin-2-yl}-N-{3-[ethyl(phenyl)amino]propyl}propanamide
C462-0081 Screening compound: 3-{8,9-dimethoxy-3-oxo-5-sulfanylidene-2H,3H,5H,6H-imidazo[1,2-c]quinazolin-2-yl}-N-{3-[ethyl(phenyl)amino]propyl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C462-0081
3-{8,9-dimethoxy-3-oxo-5-sulfanylidene-2H,3H,5H,6H-imidazo[1,2-c]quinazolin-2-yl}-N-{3-[ethyl(phenyl)amino]propyl}propanamide

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

C462-0081

Molecular Formula

C26H31N5O4S (C26 H31 N5 O4 S)

Compound Name

3-{8,9-dimethoxy-3-oxo-5-sulfanylidene-2H,3H,5H,6H-imidazo[1,2-c]quinazolin-2-yl}-N-{3-[ethyl(phenyl)amino]propyl}propanamide

IUPAC name

3-{89-dimethoxy-3-oxo-5-sulfanylidene-2H3H5H6H-imidazo[12-c]quinazolin-2-yl}-N-{3-[ethyl(phenyl)amino]propyl}propanamide

SMILES

CCN(CCCNC(CCC(C1=O)N=C(c(cc(c(OC)c2)OC)c2N2)N1C2=S)=O)c1ccccc1

InChI

InChI=1S/C26H31N5O4S/c1-4-30(17-9-6-5-7-10-17)14-8-13-27-23(32)12-11-19-25(33)31-24(28-19)18-15-21(34-2)22(35-3)16-20(18)29-26(31)36/h5-7,9-10,15-16,19H,4,8,11-14H2,1-3H3,(H,27,32)(H,29,36)/t19-/m1/s1

InChI Key

YGTHPNOENBDPML-LJQANCHMSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

509.63

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.407

Distribution Coefficient, logD

1.156

Water Solubility, LogSw

-3.23

Polar Surface Area

79.809

Acid Dissociation Constant (pKa)

7.40

Base Dissociation Constant (pKb)

8.49

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.50

References: we are preparing a list of scientific research reports with C462-0081 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C462-0081?
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What is the minimum amount of C462-0081 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C462-0081
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C462-0081
  • 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 C462-0081 available by request