6173-0066 Screening compound: 6-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-2-[(4,6-dimethyl-2-quinazolinyl)amino]-4(1H)-pyrimidinone

6173-0066 Screening compound: 6-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-2-[(4,6-dimethyl-2-quinazolinyl)amino]-4(1H)-pyrimidinone
6173-0066 Screening compound: 6-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-2-[(4,6-dimethyl-2-quinazolinyl)amino]-4(1H)-pyrimidinone alternative view

Chemical Structure Depiction of ChemDiv screening compound 6173-0066
6-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-2-[(4,6-dimethyl-2-quinazolinyl)amino]-4(1H)-pyrimidinone

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

6173-0066

Molecular Formula

C22H18N6OS2 (C22 H18 N6 OS2)

Compound Name

6-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-2-[(4,6-dimethyl-2-quinazolinyl)amino]-4(1H)-pyrimidinone

IUPAC name

n/a

SMILES

Cc1ccc2nc(NC(NC(CSc3nc(cccc4)c4s3)=C3)=NC3=O)nc(C)c2c1

InChI

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

InChI Key

LCYYOBSZDJWCII-UHFFFAOYSA-N

MDL Number (MFCD)

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

5.144

Distribution Coefficient, logD

4.388

Water Solubility, LogSw

-5.03

Polar Surface Area

73.771

Acid Dissociation Constant (pKa)

6.73

Base Dissociation Constant (pKb)

3.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.00

References: we are preparing a list of scientific research reports with 6173-0066 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6173-0066?
Check Price and Availability of 6173-0066, 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 6173-0066 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6173-0066
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6173-0066
  • 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 6173-0066 available by request