K279-0362 Screening compound: N-[(2-chlorophenyl)methyl]-3-{3-oxo-5-sulfanylidene-2H,3H,5H,6H-imidazo[1,2-c]quinazolin-2-yl}propanamide

K279-0362 Screening compound: N-[(2-chlorophenyl)methyl]-3-{3-oxo-5-sulfanylidene-2H,3H,5H,6H-imidazo[1,2-c]quinazolin-2-yl}propanamide
K279-0362 Screening compound: N-[(2-chlorophenyl)methyl]-3-{3-oxo-5-sulfanylidene-2H,3H,5H,6H-imidazo[1,2-c]quinazolin-2-yl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K279-0362
N-[(2-chlorophenyl)methyl]-3-{3-oxo-5-sulfanylidene-2H,3H,5H,6H-imidazo[1,2-c]quinazolin-2-yl}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

K279-0362

Molecular Formula

C20H17ClN4O2S (C20 H17 ClN4 O2 S)

Compound Name

N-[(2-chlorophenyl)methyl]-3-{3-oxo-5-sulfanylidene-2H,3H,5H,6H-imidazo[1,2-c]quinazolin-2-yl}propanamide

IUPAC name

N-[(2-chlorophenyl)methyl]-3-{3-oxo-5-sulfanylidene-2H3H5H6H-imidazo[12-c]quinazolin-2-yl}propanamide

SMILES

O=C(CCC(C1=O)N=C(c(cccc2)c2N2)N1C2=S)NCc(cccc1)c1Cl

InChI

InChI=1S/C20H17ClN4O2S/c21-14-7-3-1-5-12(14)11-22-17(26)10-9-16-19(27)25-18(23-16)13-6-2-4-8-15(13)24-20(25)28/h1-8,16H,9-11H2,(H,22,26)(H,24,28)/t16-/m0/s1

InChI Key

LTTMUYCBJPFRRE-INIZCTEOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.9

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.927

Distribution Coefficient, logD

2.572

Water Solubility, LogSw

-3.78

Polar Surface Area

61.716

Acid Dissociation Constant (pKa)

7.48

Base Dissociation Constant (pKb)

6.76

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

K279-0362 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K279-0362 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K279-0362?
Check Price and Availability of K279-0362, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of K279-0362 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K279-0362
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K279-0362
  • 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 K279-0362 available by request