K289-0471 Screening compound: 1-(2-{[(4-chlorophenyl)methyl]sulfanyl}-3-cyclohexyl-4-oxo-3,4-dihydroquinazoline-7-carbonyl)piperidine-4-carboxamide

K289-0471 Screening compound: 1-(2-{[(4-chlorophenyl)methyl]sulfanyl}-3-cyclohexyl-4-oxo-3,4-dihydroquinazoline-7-carbonyl)piperidine-4-carboxamide
K289-0471 Screening compound: 1-(2-{[(4-chlorophenyl)methyl]sulfanyl}-3-cyclohexyl-4-oxo-3,4-dihydroquinazoline-7-carbonyl)piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K289-0471
1-(2-{[(4-chlorophenyl)methyl]sulfanyl}-3-cyclohexyl-4-oxo-3,4-dihydroquinazoline-7-carbonyl)piperidine-4-carboxamide

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

K289-0471

Molecular Formula

C28H31ClN4O3S (C28 H31 ClN4 O3 S)

Compound Name

1-(2-{[(4-chlorophenyl)methyl]sulfanyl}-3-cyclohexyl-4-oxo-3,4-dihydroquinazoline-7-carbonyl)piperidine-4-carboxamide

IUPAC name

1-(2-{[(4-chlorophenyl)methyl]sulfanyl}-3-cyclohexyl-4-oxo-34-dihydroquinazoline-7-carbonyl)piperidine-4-carboxamide

SMILES

NC(C(CC1)CCN1C(c(cc1)cc(N=C(N2C3CCCCC3)SCc(cc3)ccc3Cl)c1C2=O)=O)=O

InChI

InChI=1S/C28H31ClN4O3S/c29-21-9-6-18(7-10-21)17-37-28-31-24-16-20(26(35)32-14-12-19(13-15-32)25(30)34)8-11-23(24)27(36)33(28)22-4-2-1-3-5-22/h6-11,16,19,22H,1-5,12-15,17H2,(H2,30,34)

InChI Key

JGEWHZHEEVEOAL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02651745

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

539.1

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.683

Distribution Coefficient, logD

3.683

Water Solubility, LogSw

-4.34

Polar Surface Area

75.700

Acid Dissociation Constant (pKa)

14.92

Base Dissociation Constant (pKb)

0.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

References: we are preparing a list of scientific research reports with K289-0471 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K289-0471?
Check Price and Availability of K289-0471, 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 K289-0471 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K289-0471
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K289-0471
  • 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 K289-0471 available by request