K288-0303 Screening compound: 3-[(2-methoxyphenyl)methyl]-7-(pyrrolidine-1-carbonyl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one

K288-0303 Screening compound: 3-[(2-methoxyphenyl)methyl]-7-(pyrrolidine-1-carbonyl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one
K288-0303 Screening compound: 3-[(2-methoxyphenyl)methyl]-7-(pyrrolidine-1-carbonyl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K288-0303
3-[(2-methoxyphenyl)methyl]-7-(pyrrolidine-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

K288-0303

Molecular Formula

C21H21N3O3S (C21 H21 N3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

COc1c(CN(C(c(ccc(C(N2CCCC2)=O)c2)c2N2)=O)C2=S)cccc1

InChI

InChI=1S/C21H21N3O3S/c1-27-18-7-3-2-6-15(18)13-24-20(26)16-9-8-14(12-17(16)22-21(24)28)19(25)23-10-4-5-11-23/h2-3,6-9,12H,4-5,10-11,13H2,1H3,(H,22,28)

InChI Key

RLSULNCTTSIHCI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05024924

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.072

Distribution Coefficient, logD

3.072

Water Solubility, LogSw

-3.51

Polar Surface Area

51.963

Acid Dissociation Constant (pKa)

10.83

Base Dissociation Constant (pKb)

-4.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

K288-0303 in Drug Discovery

Included in Screening Libraries

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 K288-0303 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K288-0303?
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What is the minimum amount of K288-0303 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K288-0303
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K288-0303
  • 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 K288-0303 available by request