K288-0717 Screening compound: N,3-bis[(2-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide

K288-0717 Screening compound: N,3-bis[(2-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
K288-0717 Screening compound: N,3-bis[(2-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K288-0717
N,3-bis[(2-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide

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

K288-0717

Molecular Formula

C25H23N3O4S (C25 H23 N3 O4 S)

Compound Name

N,3-bis[(2-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide

IUPAC name

N3-bis[(2-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-1234-tetrahydroquinazoline-7-carboxamide

SMILES

COc1c(CNC(c(cc2)cc(NC(N3Cc(cccc4)c4OC)=S)c2C3=O)=O)cccc1

InChI

InChI=1S/C25H23N3O4S/c1-31-21-9-5-3-7-17(21)14-26-23(29)16-11-12-19-20(13-16)27-25(33)28(24(19)30)15-18-8-4-6-10-22(18)32-2/h3-13H,14-15H2,1-2H3,(H,26,29)(H,27,33)

InChI Key

FVDNYBWONONZRI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05025028

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.54

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.249

Distribution Coefficient, logD

4.248

Water Solubility, LogSw

-4.37

Polar Surface Area

66.992

Acid Dissociation Constant (pKa)

10.11

Base Dissociation Constant (pKb)

-4.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

K288-0717 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with K288-0717 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K288-0717?
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What is the minimum amount of K288-0717 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K288-0717
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K288-0717
  • 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 K288-0717 available by request