K288-0565 Screening compound: 7-(azepane-1-carbonyl)-3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one

K288-0565 Screening compound: 7-(azepane-1-carbonyl)-3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one
K288-0565 Screening compound: 7-(azepane-1-carbonyl)-3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K288-0565
7-(azepane-1-carbonyl)-3-[(2H-1,3-benzodioxol-5-yl)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

K288-0565

Molecular Formula

C23H23N3O4S (C23 H23 N3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(c(cc1)cc(NC(N2Cc(cc3)cc4c3OCO4)=S)c1C2=O)N1CCCCCC1

InChI

InChI=1S/C23H23N3O4S/c27-21(25-9-3-1-2-4-10-25)16-6-7-17-18(12-16)24-23(31)26(22(17)28)13-15-5-8-19-20(11-15)30-14-29-19/h5-8,11-12H,1-4,9-10,13-14H2,(H,24,31)

InChI Key

HKXGSMIRVBFJPX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04421680

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.774

Distribution Coefficient, logD

3.774

Water Solubility, LogSw

-3.97

Polar Surface Area

61.413

Acid Dissociation Constant (pKa)

10.83

Base Dissociation Constant (pKb)

-1.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

References: we are preparing a list of scientific research reports with K288-0565 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K288-0565?
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What is the minimum amount of K288-0565 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K288-0565
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K288-0565
  • 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 K288-0565 available by request