8020-8813 Screening compound: 3-(4-chloroanilino)-6,7-dihydro-5H-pyrrolo[1,2-c][1,3]thiazol-4-ium

8020-8813 Screening compound: 3-(4-chloroanilino)-6,7-dihydro-5H-pyrrolo[1,2-c][1,3]thiazol-4-ium
8020-8813 Screening compound: 3-(4-chloroanilino)-6,7-dihydro-5H-pyrrolo[1,2-c][1,3]thiazol-4-ium alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-8813
3-(4-chloroanilino)-6,7-dihydro-5H-pyrrolo[1,2-c][1,3]thiazol-4-ium

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

8020-8813

Molecular Formula

C12H12ClN2S (C12 H12 ClN2 S)

Compound Name

3-(4-chloroanilino)-6,7-dihydro-5H-pyrrolo[1,2-c][1,3]thiazol-4-ium

IUPAC name

3-[(4-chlorophenyl)amino]-5H6H7H-4lambda5-pyrrolo[12-c][13]thiazol-4-ylium

SMILES

Clc(cc1)ccc1Nc1[n+](CCC2)c2cs1

InChI

InChI=1S/C12H11ClN2S/c13-9-3-5-10(6-4-9)14-12-15-7-1-2-11(15)8-16-12/h3-6,8H,1-2,7H2/p+1

InChI Key

OMSXKMZYNOVLDW-UHFFFAOYSA-O

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

Br-

Molecular Weight

251.76

Hydrogen Bond Acceptors Count

0.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

4.323

Distribution Coefficient, logD

4.323

Water Solubility, LogSw

-4.58

Polar Surface Area

10.913

Acid Dissociation Constant (pKa)

17.03

Base Dissociation Constant (pKb)

-7.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with 8020-8813 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-8813?
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What is the minimum amount of 8020-8813 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-8813
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-8813
  • 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 8020-8813 available by request