8013-2271 Screening compound: 8-methoxy-N-{2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethyl}-2-oxo-2H-chromene-3-carboxamide

8013-2271 Screening compound: 8-methoxy-N-{2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethyl}-2-oxo-2H-chromene-3-carboxamide
8013-2271 Screening compound: 8-methoxy-N-{2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethyl}-2-oxo-2H-chromene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-2271
8-methoxy-N-{2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethyl}-2-oxo-2H-chromene-3-carboxamide

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

8013-2271

Molecular Formula

C23H19F3N2O5 (C23 H19 F3 N2 O5)

Compound Name

8-methoxy-N-{2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethyl}-2-oxo-2H-chromene-3-carboxamide

IUPAC name

8-methoxy-N-{2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethyl}-2-oxo-2H-chromene-3-carboxamide

SMILES

Cc1c(CCNC(C2=Cc(cccc3OC)c3OC2=O)=O)c(cc(cc2)OC(F)(F)F)c2[nH]1

InChI

InChI=1S/C23H19F3N2O5/c1-12-15(16-11-14(33-23(24,25)26)6-7-18(16)28-12)8-9-27-21(29)17-10-13-4-3-5-19(31-2)20(13)32-22(17)30/h3-7,10-11,28H,8-9H2,1-2H3,(H,27,29)

InChI Key

CUXQMFGMYNKZSY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03763851

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.165

Distribution Coefficient, logD

4.165

Water Solubility, LogSw

-4.54

Polar Surface Area

68.592

Acid Dissociation Constant (pKa)

11.70

Base Dissociation Constant (pKb)

-1.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

References: we are preparing a list of scientific research reports with 8013-2271 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-2271?
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What is the minimum amount of 8013-2271 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-2271
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-2271
  • 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 8013-2271 available by request