6850-0221 Screening compound: 2-(6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-ylsulfanyl)-N~1~-[5-(4-methylphenyl)-1,2,4-thiadiazol-3-yl]acetamide

6850-0221 Screening compound: 2-(6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-ylsulfanyl)-N~1~-[5-(4-methylphenyl)-1,2,4-thiadiazol-3-yl]acetamide
6850-0221 Screening compound: 2-(6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-ylsulfanyl)-N~1~-[5-(4-methylphenyl)-1,2,4-thiadiazol-3-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6850-0221
2-(6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-ylsulfanyl)-N~1~-[5-(4-methylphenyl)-1,2,4-thiadiazol-3-yl]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

6850-0221

Molecular Formula

C20H17N5OS3 (C20 H17 N5 OS3)

Compound Name

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

IUPAC name

N-[5-(4-methylphenyl)-124-thiadiazol-3-yl]-2-{7-thia-911-diazatricyclo[6.4.0.0^{26}]dodeca-1(8)2(6)911-tetraen-12-ylsulfanyl}acetamide

SMILES

Cc(cc1)ccc1-c1nc(NC(CSc2ncnc3c2c(CCC2)c2s3)=O)ns1

InChI

InChI=1S/C20H17N5OS3/c1-11-5-7-12(8-6-11)17-24-20(25-29-17)23-15(26)9-27-18-16-13-3-2-4-14(13)28-19(16)22-10-21-18/h5-8,10H,2-4,9H2,1H3,(H,23,25,26)

InChI Key

UPLVRYXSYHWRFS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14712167

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.59

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

5.280

Distribution Coefficient, logD

5.280

Water Solubility, LogSw

-5.28

Polar Surface Area

66.130

Acid Dissociation Constant (pKa)

11.48

Base Dissociation Constant (pKb)

2.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

6850-0221 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with 6850-0221 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6850-0221?
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What is the minimum amount of 6850-0221 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6850-0221
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6850-0221
  • 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 6850-0221 available by request