8017-7840 Screening compound: 3-benzyl-7-(4-ethylpiperazin-1-yl)-5-(thiophen-2-yl)-2H,3H-[1,3]thiazolo[4,5-d]pyrimidine-2-thione

8017-7840 Screening compound: 3-benzyl-7-(4-ethylpiperazin-1-yl)-5-(thiophen-2-yl)-2H,3H-[1,3]thiazolo[4,5-d]pyrimidine-2-thione
8017-7840 Screening compound: 3-benzyl-7-(4-ethylpiperazin-1-yl)-5-(thiophen-2-yl)-2H,3H-[1,3]thiazolo[4,5-d]pyrimidine-2-thione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-7840
3-benzyl-7-(4-ethylpiperazin-1-yl)-5-(thiophen-2-yl)-2H,3H-[1,3]thiazolo[4,5-d]pyrimidine-2-thione

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

8017-7840

Molecular Formula

C22H23N5S3 (C22 H23 N5 S3)

Compound Name

3-benzyl-7-(4-ethylpiperazin-1-yl)-5-(thiophen-2-yl)-2H,3H-[1,3]thiazolo[4,5-d]pyrimidine-2-thione

IUPAC name

3-benzyl-7-(4-ethylpiperazin-1-yl)-5-(thiophen-2-yl)-2H3H-[13]thiazolo[45-d]pyrimidine-2-thione

SMILES

CCN(CC1)CCN1c1nc(-c2cccs2)nc(N2Cc3ccccc3)c1SC2=S

InChI

InChI=1S/C22H23N5S3/c1-2-25-10-12-26(13-11-25)20-18-21(24-19(23-20)17-9-6-14-29-17)27(22(28)30-18)15-16-7-4-3-5-8-16/h3-9,14H,2,10-13,15H2,1H3

InChI Key

DVOOIUASLGRBHL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06618180

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.66

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.801

Distribution Coefficient, logD

5.355

Water Solubility, LogSw

-5.62

Polar Surface Area

30.181

Acid Dissociation Constant (pKa)

23.12

Base Dissociation Constant (pKb)

7.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

8017-7840 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8017-7840 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-7840?
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What is the minimum amount of 8017-7840 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-7840
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-7840
  • 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 8017-7840 available by request