6850-0115 Screening compound: 2-[(3-allyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N~1~-[5-(2-methylphenyl)-1,2,4-thiadiazol-3-yl]acetamide

6850-0115 Screening compound: 2-[(3-allyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N~1~-[5-(2-methylphenyl)-1,2,4-thiadiazol-3-yl]acetamide
6850-0115 Screening compound: 2-[(3-allyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N~1~-[5-(2-methylphenyl)-1,2,4-thiadiazol-3-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6850-0115
2-[(3-allyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-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

6850-0115

Molecular Formula

C24H23N5O2S3 (C24 H23 N5 O2 S3)

Compound Name

2-[(3-allyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N~1~-[5-(2-methylphenyl)-1,2,4-thiadiazol-3-yl]acetamide

IUPAC name

N-[5-(2-methylphenyl)-124-thiadiazol-3-yl]-2-{[3-oxo-4-(prop-2-en-1-yl)-8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)5-trien-5-yl]sulfanyl}acetamide

SMILES

Cc(cccc1)c1-c1nc(NC(CSC(N2CC=C)=Nc(sc3c4CCCC3)c4C2=O)=O)ns1

InChI

InChI=1S/C24H23N5O2S3/c1-3-12-29-22(31)19-16-10-6-7-11-17(16)33-21(19)27-24(29)32-13-18(30)25-23-26-20(34-28-23)15-9-5-4-8-14(15)2/h3-5,8-9H,1,6-7,10-13H2,2H3,(H,25,28,30)

InChI Key

WANWQEXXRWMTKL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14712138

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

509.68

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.456

Distribution Coefficient, logD

5.456

Water Solubility, LogSw

-5.30

Polar Surface Area

70.674

Acid Dissociation Constant (pKa)

12.45

Base Dissociation Constant (pKb)

-3.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

References: we are preparing a list of scientific research reports with 6850-0115 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6850-0115?
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What is the minimum amount of 6850-0115 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6850-0115
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6850-0115
  • 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 6850-0115 available by request