0121-0114 Screening compound: N-[4-(1,3-benzothiazol-2-ylsulfanyl)-3-chlorophenyl]-3,5-dibromo-2-hydroxybenzamide

0121-0114 Screening compound: N-[4-(1,3-benzothiazol-2-ylsulfanyl)-3-chlorophenyl]-3,5-dibromo-2-hydroxybenzamide
0121-0114 Screening compound: N-[4-(1,3-benzothiazol-2-ylsulfanyl)-3-chlorophenyl]-3,5-dibromo-2-hydroxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0121-0114
N-[4-(1,3-benzothiazol-2-ylsulfanyl)-3-chlorophenyl]-3,5-dibromo-2-hydroxybenzamide

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

0121-0114

Molecular Formula

C20H11Br2ClN2O2S2 (C20 H11 Br2 ClN2 O2 S2)

Compound Name

N-[4-(1,3-benzothiazol-2-ylsulfanyl)-3-chlorophenyl]-3,5-dibromo-2-hydroxybenzamide

IUPAC name

N-[4-(13-benzothiazol-2-ylsulfanyl)-3-chlorophenyl]-35-dibromo-2-hydroxybenzamide

SMILES

Oc(c(C(Nc(cc1)cc(Cl)c1Sc1nc(cccc2)c2s1)=O)cc(Br)c1)c1Br

InChI

InChI=1S/C20H11Br2ClN2O2S2/c21-10-7-12(18(26)13(22)8-10)19(27)24-11-5-6-16(14(23)9-11)28-20-25-15-3-1-2-4-17(15)29-20/h1-9,26H,(H,24,27)

InChI Key

HTAXJAXYMIQYCT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00601927

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

570.71

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

8.072

Distribution Coefficient, logD

7.058

Water Solubility, LogSw

-6.30

Polar Surface Area

47.619

Acid Dissociation Constant (pKa)

6.43

Base Dissociation Constant (pKb)

0.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

0121-0114 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human Proteases Annotated Library (2868 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 0121-0114 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0121-0114?
Check Price and Availability of 0121-0114, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 0121-0114 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0121-0114
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0121-0114
  • 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 0121-0114 available by request