6186-2036 Screening compound: 5-(4-chlorophenyl)-11-isobutyryl-1,3-dimethyl-5,11-dihydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidine-2,4,6(3H)-trione

6186-2036 Screening compound: 5-(4-chlorophenyl)-11-isobutyryl-1,3-dimethyl-5,11-dihydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidine-2,4,6(3H)-trione
6186-2036 Screening compound: 5-(4-chlorophenyl)-11-isobutyryl-1,3-dimethyl-5,11-dihydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidine-2,4,6(3H)-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 6186-2036
5-(4-chlorophenyl)-11-isobutyryl-1,3-dimethyl-5,11-dihydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidine-2,4,6(3H)-trione

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

6186-2036

Molecular Formula

C26H22ClN3O4 (C26 H22 ClN3 O4)

Compound Name

5-(4-chlorophenyl)-11-isobutyryl-1,3-dimethyl-5,11-dihydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidine-2,4,6(3H)-trione

IUPAC name

2-(4-chlorophenyl)-57-dimethyl-9-(2-methylpropanoyl)-579-triazatetracyclo[8.7.0.0^{38}.0^{1116}]heptadeca-1(10)3(8)111315-pentaene-4617-trione

SMILES

CC(C)C(N(C(c1c2cccc1)=C(C1c(cc3)ccc3Cl)C2=O)C(N(C)C(N2C)=O)=C1C2=O)=O

InChI

InChI=1S/C26H22ClN3O4/c1-13(2)24(32)30-21-16-7-5-6-8-17(16)22(31)19(21)18(14-9-11-15(27)12-10-14)20-23(30)28(3)26(34)29(4)25(20)33/h5-13,18H,1-4H3/t18-/m1/s1

InChI Key

BMJVSRRGUCQVSO-GOSISDBHSA-N

MDL Number (MFCD)

MFCD02127985

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.93

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.237

Distribution Coefficient, logD

4.237

Water Solubility, LogSw

-4.95

Polar Surface Area

59.485

Acid Dissociation Constant (pKa)

20.26

Base Dissociation Constant (pKb)

-11.37

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.10

6186-2036 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 6186-2036 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6186-2036?
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What is the minimum amount of 6186-2036 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6186-2036
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6186-2036
  • 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 6186-2036 available by request