6850-0134 Screening compound: 2-(6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-ylsulfanyl)-N~1~-[5-(2-methylphenyl)-1,2,4-thiadiazol-3-yl]acetamide

6850-0134 Screening compound: 2-(6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-ylsulfanyl)-N~1~-[5-(2-methylphenyl)-1,2,4-thiadiazol-3-yl]acetamide
6850-0134 Screening compound: 2-(6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-ylsulfanyl)-N~1~-[5-(2-methylphenyl)-1,2,4-thiadiazol-3-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6850-0134
2-(6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-ylsulfanyl)-N~1~-[5-(2-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

6850-0134

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-(2-methylphenyl)-1,2,4-thiadiazol-3-yl]acetamide

IUPAC name

N-[5-(2-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(cccc1)c1-c1nc(NC(CSc2ncnc3c2c(CCC2)c2s3)=O)ns1

InChI

InChI=1S/C20H17N5OS3/c1-11-5-2-3-6-12(11)17-24-20(25-29-17)23-15(26)9-27-18-16-13-7-4-8-14(13)28-19(16)22-10-21-18/h2-3,5-6,10H,4,7-9H2,1H3,(H,23,25,26)

InChI Key

ONQRHBUJAZSLFY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11999907

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

5.094

Distribution Coefficient, logD

5.094

Water Solubility, LogSw

-4.97

Polar Surface Area

66.130

Acid Dissociation Constant (pKa)

12.20

Base Dissociation Constant (pKb)

2.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with 6850-0134 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6850-0134?
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What is the minimum amount of 6850-0134 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6850-0134
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6850-0134
  • 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 6850-0134 available by request