8016-9385 Screening compound: 3-benzyl-7-(4-ethylpiperazin-1-yl)-5-methyl-2H,3H-[1,3]thiazolo[4,5-d]pyrimidine-2-thione

8016-9385 Screening compound: 3-benzyl-7-(4-ethylpiperazin-1-yl)-5-methyl-2H,3H-[1,3]thiazolo[4,5-d]pyrimidine-2-thione
8016-9385 Screening compound: 3-benzyl-7-(4-ethylpiperazin-1-yl)-5-methyl-2H,3H-[1,3]thiazolo[4,5-d]pyrimidine-2-thione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-9385
3-benzyl-7-(4-ethylpiperazin-1-yl)-5-methyl-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

8016-9385

Molecular Formula

C19H23N5S2 (C19 H23 N5 S2)

Compound Name

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

IUPAC name

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

SMILES

CCN(CC1)CCN1c1nc(C)nc(N2Cc3ccccc3)c1SC2=S

InChI

InChI=1S/C19H23N5S2/c1-3-22-9-11-23(12-10-22)17-16-18(21-14(2)20-17)24(19(25)26-16)13-15-7-5-4-6-8-15/h4-8H,3,9-13H2,1-2H3

InChI Key

KQAAKYZOHRGLDQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05860423

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.178

Distribution Coefficient, logD

3.732

Water Solubility, LogSw

-4.05

Polar Surface Area

29.047

Acid Dissociation Constant (pKa)

23.12

Base Dissociation Constant (pKb)

7.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.10

References: we are preparing a list of scientific research reports with 8016-9385 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-9385?
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What is the minimum amount of 8016-9385 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-9385
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-9385
  • 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 8016-9385 available by request