C679-3469 Screening compound: 2-{[(4-methylphenyl)sulfanyl]methyl}-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one

C679-3469 Screening compound: 2-{[(4-methylphenyl)sulfanyl]methyl}-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one
C679-3469 Screening compound: 2-{[(4-methylphenyl)sulfanyl]methyl}-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C679-3469
2-{[(4-methylphenyl)sulfanyl]methyl}-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-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

C679-3469

Molecular Formula

C18H18N2OS2 (C18 H18 N2 OS2)

Compound Name

2-{[(4-methylphenyl)sulfanyl]methyl}-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one

IUPAC name

11-{[(4-methylphenyl)sulfanyl]methyl}-8-thia-110-diazatricyclo[7.4.0.0^{27}]trideca-2(7)911-trien-13-one

SMILES

Cc(cc1)ccc1SCC(N=C1SC(CCCC2)=C2N11)=CC1=O

InChI

InChI=1S/C18H18N2OS2/c1-12-6-8-14(9-7-12)22-11-13-10-17(21)20-15-4-2-3-5-16(15)23-18(20)19-13/h6-10H,2-5,11H2,1H3

InChI Key

BZPAJYGOZGFVRQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14781526

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.897

Distribution Coefficient, logD

3.897

Water Solubility, LogSw

-3.91

Polar Surface Area

26.103

Acid Dissociation Constant (pKa)

27.84

Base Dissociation Constant (pKb)

-1.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

C679-3469 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with C679-3469 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C679-3469?
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What is the minimum amount of C679-3469 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C679-3469
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C679-3469
  • 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 C679-3469 available by request