8019-1562 Screening compound: 4-chloro-N-{1-[(2-chlorophenyl)methyl]-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl}benzamide

8019-1562 Screening compound: 4-chloro-N-{1-[(2-chlorophenyl)methyl]-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl}benzamide
8019-1562 Screening compound: 4-chloro-N-{1-[(2-chlorophenyl)methyl]-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-1562
4-chloro-N-{1-[(2-chlorophenyl)methyl]-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl}benzamide

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

8019-1562

Molecular Formula

C25H21Cl2F3N2O3 (C25 H21 Cl2 F3 N2 O3)

Compound Name

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

IUPAC name

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

SMILES

CC(C)(CC(N(Cc(cccc1)c1Cl)C1=O)=C2C1(C(F)(F)F)NC(c(cc1)ccc1Cl)=O)CC2=O

InChI

InChI=1S/C25H21Cl2F3N2O3/c1-23(2)11-18-20(19(33)12-23)24(25(28,29)30,31-21(34)14-7-9-16(26)10-8-14)22(35)32(18)13-15-5-3-4-6-17(15)27/h3-10H,11-13H2,1-2H3,(H,31,34)/t24-/m0/s1

InChI Key

MRKVSDLORRXLNI-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD03941214

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

525.35

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.471

Distribution Coefficient, logD

0.080

Water Solubility, LogSw

-5.88

Polar Surface Area

54.323

Acid Dissociation Constant (pKa)

2.01

Base Dissociation Constant (pKb)

-7.38

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.00

8019-1562 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 8019-1562 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-1562?
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What is the minimum amount of 8019-1562 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-1562
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-1562
  • 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 8019-1562 available by request