K288-0932 Screening compound: 3-[(2H-1,3-benzodioxol-5-yl)methyl]-7-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one

K288-0932 Screening compound: 3-[(2H-1,3-benzodioxol-5-yl)methyl]-7-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one
K288-0932 Screening compound: 3-[(2H-1,3-benzodioxol-5-yl)methyl]-7-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K288-0932
3-[(2H-1,3-benzodioxol-5-yl)methyl]-7-[4-(3-chlorophenyl)piperazine-1-carbonyl]-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

K288-0932

Molecular Formula

C27H23ClN4O4S (C27 H23 ClN4 O4 S)

Compound Name

3-[(2H-1,3-benzodioxol-5-yl)methyl]-7-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one

IUPAC name

3-[(2H-13-benzodioxol-5-yl)methyl]-7-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-sulfanylidene-1234-tetrahydroquinazolin-4-one

SMILES

O=C(c(cc1)cc(NC(N2Cc(cc3)cc4c3OCO4)=S)c1C2=O)N(CC1)CCN1c1cccc(Cl)c1

InChI

InChI=1S/C27H23ClN4O4S/c28-19-2-1-3-20(14-19)30-8-10-31(11-9-30)25(33)18-5-6-21-22(13-18)29-27(37)32(26(21)34)15-17-4-7-23-24(12-17)36-16-35-23/h1-7,12-14H,8-11,15-16H2,(H,29,37)

InChI Key

QSSUMWFDRBHPQK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05025079

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

535.02

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.497

Distribution Coefficient, logD

4.497

Water Solubility, LogSw

-4.63

Polar Surface Area

64.342

Acid Dissociation Constant (pKa)

10.83

Base Dissociation Constant (pKb)

4.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

K288-0932 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 K288-0932 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K288-0932?
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What is the minimum amount of K288-0932 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K288-0932
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K288-0932
  • 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 K288-0932 available by request