C237-1102 Screening compound: 2-(2-methoxyethyl)-9-methyl-4-[4-(4-nitrophenyl)piperazine-1-carbonyl]-1H,2H,9H-pyrido[3,4-b]indol-1-one

C237-1102 Screening compound: 2-(2-methoxyethyl)-9-methyl-4-[4-(4-nitrophenyl)piperazine-1-carbonyl]-1H,2H,9H-pyrido[3,4-b]indol-1-one
C237-1102 Screening compound: 2-(2-methoxyethyl)-9-methyl-4-[4-(4-nitrophenyl)piperazine-1-carbonyl]-1H,2H,9H-pyrido[3,4-b]indol-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C237-1102
2-(2-methoxyethyl)-9-methyl-4-[4-(4-nitrophenyl)piperazine-1-carbonyl]-1H,2H,9H-pyrido[3,4-b]indol-1-one

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

C237-1102

Molecular Formula

C26H27N5O5 (C26 H27 N5 O5)

Compound Name

2-(2-methoxyethyl)-9-methyl-4-[4-(4-nitrophenyl)piperazine-1-carbonyl]-1H,2H,9H-pyrido[3,4-b]indol-1-one

IUPAC name

2-(2-methoxyethyl)-9-methyl-4-[4-(4-nitrophenyl)piperazine-1-carbonyl]-1H2H9H-pyrido[34-b]indol-1-one

SMILES

Cn(c1c2cccc1)c1c2C(C(N(CC2)CCN2c(cc2)ccc2[N+]([O-])=O)=O)=CN(CCOC)C1=O

InChI

InChI=1S/C26H27N5O5/c1-27-22-6-4-3-5-20(22)23-21(17-30(15-16-36-2)26(33)24(23)27)25(32)29-13-11-28(12-14-29)18-7-9-19(10-8-18)31(34)35/h3-10,17H,11-16H2,1-2H3

InChI Key

ZROWRMFXLMFSDD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14733828

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.53

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.377

Distribution Coefficient, logD

2.377

Water Solubility, LogSw

-2.54

Polar Surface Area

80.006

Acid Dissociation Constant (pKa)

28.55

Base Dissociation Constant (pKb)

0.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

C237-1102 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 C237-1102 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C237-1102?
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What is the minimum amount of C237-1102 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C237-1102
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C237-1102
  • 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 C237-1102 available by request