K288-0459 Screening compound: N-benzyl-3-(7-chloro-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-3-yl)benzamide

K288-0459 Screening compound: N-benzyl-3-(7-chloro-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-3-yl)benzamide
K288-0459 Screening compound: N-benzyl-3-(7-chloro-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-3-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K288-0459
N-benzyl-3-(7-chloro-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-3-yl)benzamide

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

K288-0459

Molecular Formula

C22H16ClN3O2S (C22 H16 ClN3 O2 S)

Compound Name

N-benzyl-3-(7-chloro-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-3-yl)benzamide

IUPAC name

N-benzyl-3-(7-chloro-4-oxo-2-sulfanylidene-1234-tetrahydroquinazolin-3-yl)benzamide

SMILES

O=C(c1cccc(N(C(c(ccc(Cl)c2)c2N2)=O)C2=S)c1)NCc1ccccc1

InChI

InChI=1S/C22H16ClN3O2S/c23-16-9-10-18-19(12-16)25-22(29)26(21(18)28)17-8-4-7-15(11-17)20(27)24-13-14-5-2-1-3-6-14/h1-12H,13H2,(H,24,27)(H,25,29)

InChI Key

AUPXVVVRWLFXKT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05024962

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.91

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.974

Distribution Coefficient, logD

3.597

Water Solubility, LogSw

-4.51

Polar Surface Area

51.120

Acid Dissociation Constant (pKa)

7.26

Base Dissociation Constant (pKb)

-4.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.50

References: we are preparing a list of scientific research reports with K288-0459 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K288-0459?
Check Price and Availability of K288-0459, 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 K288-0459 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K288-0459
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K288-0459
  • 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 K288-0459 available by request