6850-0228 Screening compound: N~1~-[5-(4-methylphenyl)-1,2,4-thiadiazol-3-yl]-2-[(7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide

6850-0228 Screening compound: N~1~-[5-(4-methylphenyl)-1,2,4-thiadiazol-3-yl]-2-[(7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide
6850-0228 Screening compound: N~1~-[5-(4-methylphenyl)-1,2,4-thiadiazol-3-yl]-2-[(7-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 6850-0228
N~1~-[5-(4-methylphenyl)-1,2,4-thiadiazol-3-yl]-2-[(7-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

6850-0228

Molecular Formula

C22H21N5OS3 (C22 H21 N5 OS3)

Compound Name

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

IUPAC name

2-({11-methyl-8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)35-tetraen-3-yl}sulfanyl)-N-[5-(4-methylphenyl)-124-thiadiazol-3-yl]acetamide

SMILES

CC(CC1)Cc2c1c(c(SCC(Nc1nsc(-c3ccc(C)cc3)n1)=O)ncn1)c1s2

InChI

InChI=1S/C22H21N5OS3/c1-12-3-6-14(7-4-12)19-26-22(27-31-19)25-17(28)10-29-20-18-15-8-5-13(2)9-16(15)30-21(18)24-11-23-20/h3-4,6-7,11,13H,5,8-10H2,1-2H3,(H,25,27,28)/t13-/m1/s1

InChI Key

XICWQONAEQTQCX-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD14712172

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

6.124

Distribution Coefficient, logD

6.124

Water Solubility, LogSw

-5.80

Polar Surface Area

65.764

Acid Dissociation Constant (pKa)

11.48

Base Dissociation Constant (pKb)

2.33

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.80

References: we are preparing a list of scientific research reports with 6850-0228 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6850-0228?
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What is the minimum amount of 6850-0228 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6850-0228
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6850-0228
  • 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 6850-0228 available by request