2188-1239 Screening compound: 4-methylphenyl N-[5,6-dichloro-2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]carbamate

2188-1239 Screening compound: 4-methylphenyl N-[5,6-dichloro-2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]carbamate
2188-1239 Screening compound: 4-methylphenyl N-[5,6-dichloro-2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]carbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2188-1239
4-methylphenyl 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

2188-1239

Molecular Formula

C16H10Cl2F3NO4 (C16 H10 Cl2 F3 NO4)

Compound Name

4-methylphenyl N-[5,6-dichloro-2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]carbamate

IUPAC name

4-methylphenyl N-[56-dichloro-2-(trifluoromethyl)-2H-13-benzodioxol-2-yl]carbamate

SMILES

Cc(cc1)ccc1OC(NC(C(F)(F)F)(Oc1c2)Oc1cc(Cl)c2Cl)=O

InChI

InChI=1S/C16H10Cl2F3NO4/c1-8-2-4-9(5-3-8)24-14(23)22-16(15(19,20)21)25-12-6-10(17)11(18)7-13(12)26-16/h2-7H,1H3,(H,22,23)

InChI Key

LLENXTZCJIMNTO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00519785

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.16

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.525

Distribution Coefficient, logD

2.908

Water Solubility, LogSw

-6.04

Polar Surface Area

46.398

Acid Dissociation Constant (pKa)

4.78

Base Dissociation Constant (pKb)

-10.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

2188-1239 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 2188-1239 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2188-1239?
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What is the minimum amount of 2188-1239 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2188-1239
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2188-1239
  • 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 2188-1239 available by request