2188-1266 Screening compound: 4-iodo-2-isopropyl-5-methylphenyl N-[5-chloro-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]carbamate

2188-1266 Screening compound: 4-iodo-2-isopropyl-5-methylphenyl N-[5-chloro-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]carbamate
2188-1266 Screening compound: 4-iodo-2-isopropyl-5-methylphenyl N-[5-chloro-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]carbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2188-1266
4-iodo-2-isopropyl-5-methylphenyl N-[5-chloro-2-(trifluoromethyl)-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

2188-1266

Molecular Formula

C19H16ClF3INO4 (C19 H16 ClF3 INO4)

Compound Name

4-iodo-2-isopropyl-5-methylphenyl N-[5-chloro-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]carbamate

IUPAC name

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

SMILES

CC(C)c1cc(I)c(C)cc1OC(NC1(C(F)(F)F)Oc(cc(cc2)Cl)c2O1)=O

InChI

InChI=1S/C19H16ClF3INO4/c1-9(2)12-8-13(24)10(3)6-15(12)27-17(26)25-19(18(21,22)23)28-14-5-4-11(20)7-16(14)29-19/h4-9H,1-3H3,(H,25,26)/t19-/m0/s1

InChI Key

OBHOODITKOZMJT-IBGZPJMESA-N

MDL Number (MFCD)

MFCD01530139

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

541.69

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

6.626

Distribution Coefficient, logD

4.399

Water Solubility, LogSw

-6.32

Polar Surface Area

46.484

Acid Dissociation Constant (pKa)

5.18

Base Dissociation Constant (pKb)

-10.02

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.58

2188-1266 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 2188-1266 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2188-1266?
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What is the minimum amount of 2188-1266 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2188-1266
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2188-1266
  • 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 2188-1266 available by request