8019-9582 Screening compound: 1,3-benzothiazol-2-yl 3-{[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]amino}propanethioate

8019-9582 Screening compound: 1,3-benzothiazol-2-yl 3-{[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]amino}propanethioate
8019-9582 Screening compound: 1,3-benzothiazol-2-yl 3-{[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]amino}propanethioate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-9582
1,3-benzothiazol-2-yl 3-{[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]amino}propanethioate

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

8019-9582

Molecular Formula

C17H20N4OS2 (C17 H20 N4 OS2)

Compound Name

1,3-benzothiazol-2-yl 3-{[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]amino}propanethioate

IUPAC name

1-(13-benzothiazol-2-ylsulfanyl)-3-{[(135-trimethyl-1H-pyrazol-4-yl)methyl]amino}propan-1-one

SMILES

Cc1c(CNCCC(Sc2nc(cccc3)c3s2)=O)c(C)nn1C

InChI

InChI=1S/C17H20N4OS2/c1-11-13(12(2)21(3)20-11)10-18-9-8-16(22)24-17-19-14-6-4-5-7-15(14)23-17/h4-7,18H,8-10H2,1-3H3

InChI Key

NRBJQXXEDUQNDE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12034417

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.358

Distribution Coefficient, logD

-2.754

Water Solubility, LogSw

-2.73

Polar Surface Area

48.547

Acid Dissociation Constant (pKa)

18.46

Base Dissociation Constant (pKb)

12.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.29

References: we are preparing a list of scientific research reports with 8019-9582 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-9582?
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What is the minimum amount of 8019-9582 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-9582
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-9582
  • 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 8019-9582 available by request