3334-5250 Screening compound: 4-chloro-5-methyl-2-(propan-2-yl)phenyl N-[5,6-dichloro-2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]carbamate

3334-5250 Screening compound: 4-chloro-5-methyl-2-(propan-2-yl)phenyl N-[5,6-dichloro-2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]carbamate
3334-5250 Screening compound: 4-chloro-5-methyl-2-(propan-2-yl)phenyl N-[5,6-dichloro-2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]carbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3334-5250
4-chloro-5-methyl-2-(propan-2-yl)phenyl N-[5,6-dichloro-2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]carbamate

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

3334-5250

Molecular Formula

C19H15Cl3F3NO4 (C19 H15 Cl3 F3 NO4)

Compound Name

4-chloro-5-methyl-2-(propan-2-yl)phenyl N-[5,6-dichloro-2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]carbamate

IUPAC name

4-chloro-5-methyl-2-(propan-2-yl)phenyl N-[56-dichloro-2-(trifluoromethyl)-2H-13-benzodioxol-2-yl]carbamate

SMILES

CC(C)c1cc(Cl)c(C)cc1OC(NC1(C(F)(F)F)Oc(cc(c(Cl)c2)Cl)c2O1)=O

InChI

InChI=1S/C19H15Cl3F3NO4/c1-8(2)10-5-11(20)9(3)4-14(10)28-17(27)26-19(18(23,24)25)29-15-6-12(21)13(22)7-16(15)30-19/h4-8H,1-3H3,(H,26,27)

InChI Key

MEJRAGVDAKVGGM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02250243

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.69

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.321

Distribution Coefficient, logD

4.886

Water Solubility, LogSw

-6.68

Polar Surface Area

46.484

Acid Dissociation Constant (pKa)

4.97

Base Dissociation Constant (pKb)

-10.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

3334-5250 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3334-5250 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3334-5250?
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What is the minimum amount of 3334-5250 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3334-5250
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3334-5250
  • 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 3334-5250 available by request