K279-0882 Screening compound: 3-{5-[(3-NITROBENZYL)SULFANYL]-2-OXO-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-3-YL}-N~1~-(2-THIENYLMETHYL)PROPANAMIDE

K279-0882 Screening compound: 3-{5-[(3-NITROBENZYL)SULFANYL]-2-OXO-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-3-YL}-N~1~-(2-THIENYLMETHYL)PROPANAMIDE
K279-0882 Screening compound: 3-{5-[(3-NITROBENZYL)SULFANYL]-2-OXO-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-3-YL}-N~1~-(2-THIENYLMETHYL)PROPANAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound K279-0882
3-{5-[(3-NITROBENZYL)SULFANYL]-2-OXO-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-3-YL}-N~1~-(2-THIENYLMETHYL)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

K279-0882

Molecular Formula

C25H21N5O4S2 (C25 H21 N5 O4 S2)

Compound Name

3-{5-[(3-NITROBENZYL)SULFANYL]-2-OXO-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-3-YL}-N~1~-(2-THIENYLMETHYL)PROPANAMIDE

IUPAC name

n/a

SMILES

[O-][N+](c1cccc(CSC(N2C3CCC(NCc4cccs4)=O)=Nc(cccc4)c4C2=NC3=O)c1)=O

InChI

InChI=1S/C25H21N5O4S2/c31-22(26-14-18-7-4-12-35-18)11-10-21-24(32)28-23-19-8-1-2-9-20(19)27-25(29(21)23)36-15-16-5-3-6-17(13-16)30(33)34/h1-9,12-13,21H,10-11,14-15H2,(H,26,31)/t21-/m0/s1

InChI Key

RYXZTLCQAFRSJS-NRFANRHFSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

519.61

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.508

Distribution Coefficient, logD

3.507

Water Solubility, LogSw

-3.99

Polar Surface Area

94.023

Acid Dissociation Constant (pKa)

10.29

Base Dissociation Constant (pKb)

3.90

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

K279-0882 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 K279-0882 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K279-0882?
Check Price and Availability of K279-0882, 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 K279-0882 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K279-0882
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K279-0882
  • 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 K279-0882 available by request