K288-0929 Screening compound: 3-[(2H-1,3-benzodioxol-5-yl)methyl]-7-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one

K288-0929 Screening compound: 3-[(2H-1,3-benzodioxol-5-yl)methyl]-7-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one
K288-0929 Screening compound: 3-[(2H-1,3-benzodioxol-5-yl)methyl]-7-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K288-0929
3-[(2H-1,3-benzodioxol-5-yl)methyl]-7-[4-(2-methoxyphenyl)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

K288-0929

Molecular Formula

C28H26N4O5S (C28 H26 N4 O5 S)

Compound Name

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

IUPAC name

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

SMILES

COc(cccc1)c1N(CC1)CCN1C(c(cc1)cc(NC(N2Cc(cc3)cc4c3OCO4)=S)c1C2=O)=O

InChI

InChI=1S/C28H26N4O5S/c1-35-23-5-3-2-4-22(23)30-10-12-31(13-11-30)26(33)19-7-8-20-21(15-19)29-28(38)32(27(20)34)16-18-6-9-24-25(14-18)37-17-36-24/h2-9,14-15H,10-13,16-17H2,1H3,(H,29,38)

InChI Key

FUFMZZRCNKHUSB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05025077

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

530.6

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.914

Distribution Coefficient, logD

3.914

Water Solubility, LogSw

-4.00

Polar Surface Area

71.671

Acid Dissociation Constant (pKa)

10.83

Base Dissociation Constant (pKb)

5.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

K288-0929 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K288-0929 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K288-0929?
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What is the minimum amount of K288-0929 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K288-0929
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K288-0929
  • 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 K288-0929 available by request