6850-0223 Screening compound: N~1~-[5-(4-methylphenyl)-1,2,4-thiadiazol-3-yl]-2-(6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-ylsulfanyl)acetamide

6850-0223 Screening compound: N~1~-[5-(4-methylphenyl)-1,2,4-thiadiazol-3-yl]-2-(6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-ylsulfanyl)acetamide
6850-0223 Screening compound: N~1~-[5-(4-methylphenyl)-1,2,4-thiadiazol-3-yl]-2-(6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-ylsulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6850-0223
N~1~-[5-(4-methylphenyl)-1,2,4-thiadiazol-3-yl]-2-(6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-ylsulfanyl)acetamide

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

6850-0223

Molecular Formula

C22H21N5OS3 (C22 H21 N5 OS3)

Compound Name

N~1~-[5-(4-methylphenyl)-1,2,4-thiadiazol-3-yl]-2-(6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-ylsulfanyl)acetamide

IUPAC name

N-[5-(4-methylphenyl)-124-thiadiazol-3-yl]-2-{8-thia-46-diazatricyclo[7.5.0.0^{27}]tetradeca-1(9)2(7)35-tetraen-3-ylsulfanyl}acetamide

SMILES

Cc(cc1)ccc1-c1nc(NC(CSc2ncnc3c2c(CCCCC2)c2s3)=O)ns1

InChI

InChI=1S/C22H21N5OS3/c1-13-7-9-14(10-8-13)19-26-22(27-31-19)25-17(28)11-29-20-18-15-5-3-2-4-6-16(15)30-21(18)24-12-23-20/h7-10,12H,2-6,11H2,1H3,(H,25,27,28)

InChI Key

ZGPUOHBGVHGISJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14712169

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.64

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.186

Distribution Coefficient, logD

6.186

Water Solubility, LogSw

-5.64

Polar Surface Area

66.095

Acid Dissociation Constant (pKa)

11.48

Base Dissociation Constant (pKb)

2.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

References: we are preparing a list of scientific research reports with 6850-0223 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6850-0223?
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What is the minimum amount of 6850-0223 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6850-0223
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6850-0223
  • 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 6850-0223 available by request