K288-0761 Screening compound: ethyl 4-{3-[2-(cyclohex-1-en-1-yl)ethyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carbonyl}piperazine-1-carboxylate

K288-0761 Screening compound: ethyl 4-{3-[2-(cyclohex-1-en-1-yl)ethyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carbonyl}piperazine-1-carboxylate
K288-0761 Screening compound: ethyl 4-{3-[2-(cyclohex-1-en-1-yl)ethyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carbonyl}piperazine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K288-0761
ethyl 4-{3-[2-(cyclohex-1-en-1-yl)ethyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carbonyl}piperazine-1-carboxylate

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

K288-0761

Molecular Formula

C24H30N4O4S (C24 H30 N4 O4 S)

Compound Name

ethyl 4-{3-[2-(cyclohex-1-en-1-yl)ethyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carbonyl}piperazine-1-carboxylate

IUPAC name

ethyl 4-{3-[2-(cyclohex-1-en-1-yl)ethyl]-4-oxo-2-sulfanylidene-1234-tetrahydroquinazoline-7-carbonyl}piperazine-1-carboxylate

SMILES

CCOC(N(CC1)CCN1C(c(cc1)cc(NC(N2CCC3=CCCCC3)=S)c1C2=O)=O)=O

InChI

InChI=1S/C24H30N4O4S/c1-2-32-24(31)27-14-12-26(13-15-27)21(29)18-8-9-19-20(16-18)25-23(33)28(22(19)30)11-10-17-6-4-3-5-7-17/h6,8-9,16H,2-5,7,10-15H2,1H3,(H,25,33)

InChI Key

YJNYMVSEUUODFE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02651678

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.59

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.300

Distribution Coefficient, logD

3.299

Water Solubility, LogSw

-3.60

Polar Surface Area

66.917

Acid Dissociation Constant (pKa)

10.24

Base Dissociation Constant (pKb)

-2.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

K288-0761 in Drug Discovery

Included in Screening Libraries

Human GPCR Annotated Library (5539 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K288-0761 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K288-0761?
Check Price and Availability of K288-0761, 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 K288-0761 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K288-0761
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K288-0761
  • 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 K288-0761 available by request