8012-5675 Screening compound: 2-(4-chlorophenyl)-N-{2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethyl}acetamide

8012-5675 Screening compound: 2-(4-chlorophenyl)-N-{2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethyl}acetamide
8012-5675 Screening compound: 2-(4-chlorophenyl)-N-{2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-5675
2-(4-chlorophenyl)-N-{2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethyl}acetamide

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

8012-5675

Molecular Formula

C20H18ClF3N2O2 (C20 H18 ClF3 N2 O2)

Compound Name

2-(4-chlorophenyl)-N-{2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethyl}acetamide

IUPAC name

2-(4-chlorophenyl)-N-{2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethyl}acetamide

SMILES

Cc1c(CCNC(Cc(cc2)ccc2Cl)=O)c(cc(cc2)OC(F)(F)F)c2[nH]1

InChI

InChI=1S/C20H18ClF3N2O2/c1-12-16(8-9-25-19(27)10-13-2-4-14(21)5-3-13)17-11-15(28-20(22,23)24)6-7-18(17)26-12/h2-7,11,26H,8-10H2,1H3,(H,25,27)

InChI Key

WCLCYRXUDJJPOU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03036599

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.82

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.777

Distribution Coefficient, logD

4.777

Water Solubility, LogSw

-4.79

Polar Surface Area

40.143

Acid Dissociation Constant (pKa)

13.89

Base Dissociation Constant (pKb)

3.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with 8012-5675 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-5675?
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What is the minimum amount of 8012-5675 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-5675
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-5675
  • 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 8012-5675 available by request