3334-5254 Screening compound: ethyl 2-[2-({[5,6-dichloro-2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]carbamoyl}amino)-1,3-thiazol-4-yl]acetate

3334-5254 Screening compound: ethyl 2-[2-({[5,6-dichloro-2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]carbamoyl}amino)-1,3-thiazol-4-yl]acetate
3334-5254 Screening compound: ethyl 2-[2-({[5,6-dichloro-2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]carbamoyl}amino)-1,3-thiazol-4-yl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3334-5254
ethyl 2-[2-({[5,6-dichloro-2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]carbamoyl}amino)-1,3-thiazol-4-yl]acetate

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

3334-5254

Molecular Formula

C16H12Cl2F3N3O5S (C16 H12 Cl2 F3 N3 O5 S)

Compound Name

ethyl 2-[2-({[5,6-dichloro-2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]carbamoyl}amino)-1,3-thiazol-4-yl]acetate

IUPAC name

ethyl 2-[2-({[56-dichloro-2-(trifluoromethyl)-2H-13-benzodioxol-2-yl]carbamoyl}amino)-13-thiazol-4-yl]acetate

SMILES

CCOC(Cc1csc(NC(NC(C(F)(F)F)(Oc2c3)Oc2cc(Cl)c3Cl)=O)n1)=O

InChI

InChI=1S/C16H12Cl2F3N3O5S/c1-2-27-12(25)3-7-6-30-14(22-7)23-13(26)24-16(15(19,20)21)28-10-4-8(17)9(18)5-11(10)29-16/h4-6H,2-3H2,1H3,(H2,22,23,24,26)

InChI Key

DBGLWWCIXGHCDG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02250247

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.26

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.968

Distribution Coefficient, logD

4.912

Water Solubility, LogSw

-5.12

Polar Surface Area

78.333

Acid Dissociation Constant (pKa)

8.26

Base Dissociation Constant (pKb)

-0.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

3334-5254 in Drug Discovery

Included in Screening Libraries

Selective Target Activity Profiling Library (14702 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 3334-5254 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3334-5254?
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What is the minimum amount of 3334-5254 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3334-5254
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3334-5254
  • 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 3334-5254 available by request