8013-2060 Screening compound: N-{6,6-dimethyl-2,4-dioxo-1-[(pyridin-2-yl)methyl]-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl}-4-methylbenzamide

8013-2060 Screening compound: N-{6,6-dimethyl-2,4-dioxo-1-[(pyridin-2-yl)methyl]-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl}-4-methylbenzamide
8013-2060 Screening compound: N-{6,6-dimethyl-2,4-dioxo-1-[(pyridin-2-yl)methyl]-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl}-4-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-2060
N-{6,6-dimethyl-2,4-dioxo-1-[(pyridin-2-yl)methyl]-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl}-4-methylbenzamide

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

8013-2060

Molecular Formula

C25H24F3N3O3 (C25 H24 F3 N3 O3)

Compound Name

N-{6,6-dimethyl-2,4-dioxo-1-[(pyridin-2-yl)methyl]-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl}-4-methylbenzamide

IUPAC name

N-{66-dimethyl-24-dioxo-1-[(pyridin-2-yl)methyl]-3-(trifluoromethyl)-234567-hexahydro-1H-indol-3-yl}-4-methylbenzamide

SMILES

CC(C)(CC(N(Cc1ncccc1)C1=O)=C2C1(C(F)(F)F)NC(c1ccc(C)cc1)=O)CC2=O

InChI

InChI=1S/C25H24F3N3O3/c1-15-7-9-16(10-8-15)21(33)30-24(25(26,27)28)20-18(12-23(2,3)13-19(20)32)31(22(24)34)14-17-6-4-5-11-29-17/h4-11H,12-14H2,1-3H3,(H,30,33)/t24-/m0/s1

InChI Key

UZVQFBDJTCSZEZ-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD03763679

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.529

Distribution Coefficient, logD

-1.023

Water Solubility, LogSw

-3.67

Polar Surface Area

63.866

Acid Dissociation Constant (pKa)

2.85

Base Dissociation Constant (pKb)

2.46

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.00

8013-2060 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 8013-2060 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 8013-2060 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-2060
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-2060
  • 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 8013-2060 available by request