K288-0916 Screening compound: 7-[4-(3-chlorophenyl)piperazine-1-carbonyl]-3-[(2-methoxyphenyl)methyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one

K288-0916 Screening compound: 7-[4-(3-chlorophenyl)piperazine-1-carbonyl]-3-[(2-methoxyphenyl)methyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one
K288-0916 Screening compound: 7-[4-(3-chlorophenyl)piperazine-1-carbonyl]-3-[(2-methoxyphenyl)methyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K288-0916
7-[4-(3-chlorophenyl)piperazine-1-carbonyl]-3-[(2-methoxyphenyl)methyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one

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

K288-0916

Molecular Formula

C27H25ClN4O3S (C27 H25 ClN4 O3 S)

Compound Name

7-[4-(3-chlorophenyl)piperazine-1-carbonyl]-3-[(2-methoxyphenyl)methyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one

IUPAC name

7-[4-(3-chlorophenyl)piperazine-1-carbonyl]-3-[(2-methoxyphenyl)methyl]-2-sulfanylidene-1234-tetrahydroquinazolin-4-one

SMILES

COc1c(CN(C(c(ccc(C(N(CC2)CCN2c2cccc(Cl)c2)=O)c2)c2N2)=O)C2=S)cccc1

InChI

InChI=1S/C27H25ClN4O3S/c1-35-24-8-3-2-5-19(24)17-32-26(34)22-10-9-18(15-23(22)29-27(32)36)25(33)31-13-11-30(12-14-31)21-7-4-6-20(28)16-21/h2-10,15-16H,11-14,17H2,1H3,(H,29,36)

InChI Key

HNTFFWSCAWQDFJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15091320

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

521.04

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.578

Distribution Coefficient, logD

4.578

Water Solubility, LogSw

-4.60

Polar Surface Area

54.857

Acid Dissociation Constant (pKa)

10.83

Base Dissociation Constant (pKb)

4.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

K288-0916 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with K288-0916 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K288-0916?
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What is the minimum amount of K288-0916 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K288-0916
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K288-0916
  • 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 K288-0916 available by request