6850-0301 Screening compound: N~1~-{5-[4-(tert-butyl)phenyl]-1,2,4-thiadiazol-3-yl}-2-[(2-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide

6850-0301 Screening compound: N~1~-{5-[4-(tert-butyl)phenyl]-1,2,4-thiadiazol-3-yl}-2-[(2-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide
6850-0301 Screening compound: N~1~-{5-[4-(tert-butyl)phenyl]-1,2,4-thiadiazol-3-yl}-2-[(2-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6850-0301
N~1~-{5-[4-(tert-butyl)phenyl]-1,2,4-thiadiazol-3-yl}-2-[(2-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)sulfanyl]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

6850-0301

Molecular Formula

C25H27N5OS3 (C25 H27 N5 OS3)

Compound Name

N~1~-{5-[4-(tert-butyl)phenyl]-1,2,4-thiadiazol-3-yl}-2-[(2-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide

IUPAC name

N-[5-(4-tert-butylphenyl)-124-thiadiazol-3-yl]-2-({5-methyl-8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)35-tetraen-3-yl}sulfanyl)acetamide

SMILES

CC(C)(C)c(cc1)ccc1-c1nc(NC(CSc2nc(C)nc3c2c(CCCC2)c2s3)=O)ns1

InChI

InChI=1S/C25H27N5OS3/c1-14-26-22(20-17-7-5-6-8-18(17)33-23(20)27-14)32-13-19(31)28-24-29-21(34-30-24)15-9-11-16(12-10-15)25(2,3)4/h9-12H,5-8,13H2,1-4H3,(H,28,30,31)

InChI Key

ZBTYIAJPSYCBOP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14712193

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

509.72

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

7.462

Distribution Coefficient, logD

7.462

Water Solubility, LogSw

-5.88

Polar Surface Area

64.138

Acid Dissociation Constant (pKa)

11.48

Base Dissociation Constant (pKb)

4.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

6850-0301 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 6850-0301 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6850-0301?
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What is the minimum amount of 6850-0301 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6850-0301
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6850-0301
  • 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 6850-0301 available by request