C200-3079 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-2-[8-methoxy-5-methyl-3-(3-methylphenyl)-2,4-dioxo-1H,2H,3H,4H,5H-pyrimido[5,4-b]indol-1-yl]acetamide

C200-3079 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-2-[8-methoxy-5-methyl-3-(3-methylphenyl)-2,4-dioxo-1H,2H,3H,4H,5H-pyrimido[5,4-b]indol-1-yl]acetamide
C200-3079 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-2-[8-methoxy-5-methyl-3-(3-methylphenyl)-2,4-dioxo-1H,2H,3H,4H,5H-pyrimido[5,4-b]indol-1-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-3079
N-[2-(cyclohex-1-en-1-yl)ethyl]-2-[8-methoxy-5-methyl-3-(3-methylphenyl)-2,4-dioxo-1H,2H,3H,4H,5H-pyrimido[5,4-b]indol-1-yl]acetamide

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

C200-3079

Molecular Formula

C29H32N4O4 (C29 H32 N4 O4)

Compound Name

N-[2-(cyclohex-1-en-1-yl)ethyl]-2-[8-methoxy-5-methyl-3-(3-methylphenyl)-2,4-dioxo-1H,2H,3H,4H,5H-pyrimido[5,4-b]indol-1-yl]acetamide

IUPAC name

N-[2-(cyclohex-1-en-1-yl)ethyl]-2-[8-methoxy-5-methyl-3-(3-methylphenyl)-24-dioxo-1H2H3H4H5H-pyrimido[54-b]indol-1-yl]acetamide

SMILES

Cc1cccc(N(C(c(n(C)c(cc2)c3cc2OC)c3N2CC(NCCC3=CCCCC3)=O)=O)C2=O)c1

InChI

InChI=1S/C29H32N4O4/c1-19-8-7-11-21(16-19)33-28(35)27-26(23-17-22(37-3)12-13-24(23)31(27)2)32(29(33)36)18-25(34)30-15-14-20-9-5-4-6-10-20/h7-9,11-13,16-17H,4-6,10,14-15,18H2,1-3H3,(H,30,34)

InChI Key

VLTAOKLJCYQMRH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14726715

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

500.6

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.990

Distribution Coefficient, logD

3.990

Water Solubility, LogSw

-4.18

Polar Surface Area

65.785

Acid Dissociation Constant (pKa)

15.47

Base Dissociation Constant (pKb)

4.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.50

C200-3079 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-infective Library (19449 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with C200-3079 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-3079?
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What is the minimum amount of C200-3079 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-3079
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-3079
  • 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 C200-3079 available by request