6186-2721 Screening compound: 6-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-2-[(4,7-dimethylquinazolin-2-yl)amino]-1,4-dihydropyrimidin-4-one

6186-2721 Screening compound: 6-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-2-[(4,7-dimethylquinazolin-2-yl)amino]-1,4-dihydropyrimidin-4-one
6186-2721 Screening compound: 6-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-2-[(4,7-dimethylquinazolin-2-yl)amino]-1,4-dihydropyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 6186-2721
6-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-2-[(4,7-dimethylquinazolin-2-yl)amino]-1,4-dihydropyrimidin-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

6186-2721

Molecular Formula

C22H18N6OS2 (C22 H18 N6 OS2)

Compound Name

6-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-2-[(4,7-dimethylquinazolin-2-yl)amino]-1,4-dihydropyrimidin-4-one

IUPAC name

6-[(13-benzothiazol-2-ylsulfanyl)methyl]-2-[(47-dimethylquinazolin-2-yl)amino]-14-dihydropyrimidin-4-one

SMILES

Cc1ccc(c(C)nc(NC(NC(CSc2nc(cccc3)c3s2)=C2)=NC2=O)n2)c2c1

InChI

InChI=1S/C22H18N6OS2/c1-12-7-8-15-13(2)23-20(25-17(15)9-12)28-21-24-14(10-19(29)27-21)11-30-22-26-16-5-3-4-6-18(16)31-22/h3-10H,11H2,1-2H3,(H2,23,24,25,27,28,29)

InChI Key

QWMIYMLPAVGWDH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03008168

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.260

Distribution Coefficient, logD

4.504

Water Solubility, LogSw

-5.13

Polar Surface Area

73.771

Acid Dissociation Constant (pKa)

6.73

Base Dissociation Constant (pKb)

3.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

6186-2721 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 compounds)

Dark Chemical Matter Library (18430 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with 6186-2721 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6186-2721?
Check Price and Availability of 6186-2721, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 6186-2721 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6186-2721
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6186-2721
  • 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 6186-2721 available by request