8014-9572 Screening compound: N-{1-[2-(3,4-dimethoxyphenyl)ethyl]-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl}thiophene-2-carboxamide

8014-9572 Screening compound: N-{1-[2-(3,4-dimethoxyphenyl)ethyl]-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl}thiophene-2-carboxamide
8014-9572 Screening compound: N-{1-[2-(3,4-dimethoxyphenyl)ethyl]-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl}thiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-9572
N-{1-[2-(3,4-dimethoxyphenyl)ethyl]-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl}thiophene-2-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

8014-9572

Molecular Formula

C26H27F3N2O5S (C26 H27 F3 N2 O5 S)

Compound Name

N-{1-[2-(3,4-dimethoxyphenyl)ethyl]-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl}thiophene-2-carboxamide

IUPAC name

N-{1-[2-(34-dimethoxyphenyl)ethyl]-66-dimethyl-24-dioxo-3-(trifluoromethyl)-234567-hexahydro-1H-indol-3-yl}thiophene-2-carboxamide

SMILES

CC(C)(CC(N(CCc(cc1)cc(OC)c1OC)C1=O)=C2C1(C(F)(F)F)NC(c1cccs1)=O)CC2=O

InChI

InChI=1S/C26H27F3N2O5S/c1-24(2)13-16-21(17(32)14-24)25(26(27,28)29,30-22(33)20-6-5-11-37-20)23(34)31(16)10-9-15-7-8-18(35-3)19(12-15)36-4/h5-8,11-12H,9-10,13-14H2,1-4H3,(H,30,33)/t25-/m0/s1

InChI Key

USNCKESOXUWKHX-VWLOTQADSA-N

MDL Number (MFCD)

MFCD03821203

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

536.57

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.921

Distribution Coefficient, logD

0.367

Water Solubility, LogSw

-4.18

Polar Surface Area

70.580

Acid Dissociation Constant (pKa)

3.85

Base Dissociation Constant (pKb)

-5.31

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.30

8014-9572 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 8014-9572 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-9572?
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What is the minimum amount of 8014-9572 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-9572
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-9572
  • 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 8014-9572 available by request