8013-3405 Screening compound: (7aR)-3-(4-methoxyphenyl)-6-phenyl-5-thioxotetrahydro-7H-imidazo[1,5-c][1,3]thiazol-7-one

8013-3405 Screening compound: (7aR)-3-(4-methoxyphenyl)-6-phenyl-5-thioxotetrahydro-7H-imidazo[1,5-c][1,3]thiazol-7-one
8013-3405 Screening compound: (7aR)-3-(4-methoxyphenyl)-6-phenyl-5-thioxotetrahydro-7H-imidazo[1,5-c][1,3]thiazol-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-3405
(7aR)-3-(4-methoxyphenyl)-6-phenyl-5-thioxotetrahydro-7H-imidazo[1,5-c][1,3]thiazol-7-one

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

8013-3405

Molecular Formula

C18H16N2O2S2 (C18 H16 N2 O2 S2)

Compound Name

(7aR)-3-(4-methoxyphenyl)-6-phenyl-5-thioxotetrahydro-7H-imidazo[1,5-c][1,3]thiazol-7-one

IUPAC name

n/a

SMILES

COc1ccc(C2SCC(C(N3c4ccccc4)=O)N2C3=S)cc1

InChI

InChI=1S/C18H16N2O2S2/c1-22-14-9-7-12(8-10-14)17-20-15(11-24-17)16(21)19(18(20)23)13-5-3-2-4-6-13/h2-10,15,17H,11H2,1H3/t15-,17?/m1/s1

InChI Key

UPWAALUMNXBDPB-LDCVWXEPSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.916

Distribution Coefficient, logD

2.916

Water Solubility, LogSw

-3.29

Polar Surface Area

26.382

Acid Dissociation Constant (pKa)

14.93

Base Dissociation Constant (pKb)

-7.59

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

22.20

References: we are preparing a list of scientific research reports with 8013-3405 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-3405?
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What is the minimum amount of 8013-3405 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-3405
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-3405
  • 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 8013-3405 available by request