1575-0032 Screening compound: 3-[(3,5-di-tert-butyl-4-hydroxyphenyl)methyl]-2,3-dihydro-1,3-benzothiazole-2-thione

1575-0032 Screening compound: 3-[(3,5-di-tert-butyl-4-hydroxyphenyl)methyl]-2,3-dihydro-1,3-benzothiazole-2-thione
1575-0032 Screening compound: 3-[(3,5-di-tert-butyl-4-hydroxyphenyl)methyl]-2,3-dihydro-1,3-benzothiazole-2-thione alternative view

Chemical Structure Depiction of ChemDiv screening compound 1575-0032
3-[(3,5-di-tert-butyl-4-hydroxyphenyl)methyl]-2,3-dihydro-1,3-benzothiazole-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

1575-0032

Molecular Formula

C22H27NOS2 (C22 H27 NOS2)

Compound Name

3-[(3,5-di-tert-butyl-4-hydroxyphenyl)methyl]-2,3-dihydro-1,3-benzothiazole-2-thione

IUPAC name

3-[(35-di-tert-butyl-4-hydroxyphenyl)methyl]-23-dihydro-13-benzothiazole-2-thione

SMILES

CC(C)(C)c1cc(CN(c(cccc2)c2S2)C2=S)cc(C(C)(C)C)c1O

InChI

InChI=1S/C22H27NOS2/c1-21(2,3)15-11-14(12-16(19(15)24)22(4,5)6)13-23-17-9-7-8-10-18(17)26-20(23)25/h7-12,24H,13H2,1-6H3

InChI Key

FQQRWOWMCBISBN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00364168

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.59

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

6.603

Distribution Coefficient, logD

6.603

Water Solubility, LogSw

-5.84

Polar Surface Area

18.137

Acid Dissociation Constant (pKa)

10.93

Base Dissociation Constant (pKb)

-2.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

1575-0032 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1575-0032 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1575-0032?
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What is the minimum amount of 1575-0032 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1575-0032
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1575-0032
  • 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 1575-0032 available by request