8015-3516 Screening compound: ethyl 4-[6,6-dimethyl-3-(4-methylbenzamido)-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-1-yl]benzoate

8015-3516 Screening compound: ethyl 4-[6,6-dimethyl-3-(4-methylbenzamido)-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-1-yl]benzoate
8015-3516 Screening compound: ethyl 4-[6,6-dimethyl-3-(4-methylbenzamido)-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-1-yl]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-3516
ethyl 4-[6,6-dimethyl-3-(4-methylbenzamido)-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-1-yl]benzoate

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

8015-3516

Molecular Formula

C28H27F3N2O5 (C28 H27 F3 N2 O5)

Compound Name

ethyl 4-[6,6-dimethyl-3-(4-methylbenzamido)-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-1-yl]benzoate

IUPAC name

ethyl 4-[66-dimethyl-3-(4-methylbenzamido)-24-dioxo-3-(trifluoromethyl)-234567-hexahydro-1H-indol-1-yl]benzoate

SMILES

CCOC(c(cc1)ccc1N(C(CC(C)(C)C1)=C(C2(C(F)(F)F)NC(c3ccc(C)cc3)=O)C1=O)C2=O)=O

InChI

InChI=1S/C28H27F3N2O5/c1-5-38-24(36)18-10-12-19(13-11-18)33-20-14-26(3,4)15-21(34)22(20)27(25(33)37,28(29,30)31)32-23(35)17-8-6-16(2)7-9-17/h6-13H,5,14-15H2,1-4H3,(H,32,35)/t27-/m0/s1

InChI Key

BGKJSBWTEMPVKA-MHZLTWQESA-N

MDL Number (MFCD)

MFCD04060882

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

528.53

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.941

Distribution Coefficient, logD

-0.820

Water Solubility, LogSw

-4.58

Polar Surface Area

74.465

Acid Dissociation Constant (pKa)

1.64

Base Dissociation Constant (pKb)

-5.43

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.70

8015-3516 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8015-3516 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-3516?
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What is the minimum amount of 8015-3516 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-3516
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-3516
  • 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 8015-3516 available by request