F090-2245 Screening compound: methyl 3-{2-[4-(4-nitrophenyl)piperazin-1-yl]acetamido}-1H-indole-2-carboxylate

F090-2245 Screening compound: methyl 3-{2-[4-(4-nitrophenyl)piperazin-1-yl]acetamido}-1H-indole-2-carboxylate
F090-2245 Screening compound: methyl 3-{2-[4-(4-nitrophenyl)piperazin-1-yl]acetamido}-1H-indole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound F090-2245
methyl 3-{2-[4-(4-nitrophenyl)piperazin-1-yl]acetamido}-1H-indole-2-carboxylate

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

F090-2245

Molecular Formula

C22H23N5O5 (C22 H23 N5 O5)

Compound Name

methyl 3-{2-[4-(4-nitrophenyl)piperazin-1-yl]acetamido}-1H-indole-2-carboxylate

IUPAC name

methyl 3-{2-[4-(4-nitrophenyl)piperazin-1-yl]acetamido}-1H-indole-2-carboxylate

SMILES

COC(c([nH]c1c2cccc1)c2NC(CN(CC1)CCN1c(cc1)ccc1[N+]([O-])=O)=O)=O

InChI

InChI=1S/C22H23N5O5/c1-32-22(29)21-20(17-4-2-3-5-18(17)23-21)24-19(28)14-25-10-12-26(13-11-25)15-6-8-16(9-7-15)27(30)31/h2-9,23H,10-14H2,1H3,(H,24,28)

InChI Key

ULHFOFMOKVPWOZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01564388

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.46

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.818

Distribution Coefficient, logD

2.770

Water Solubility, LogSw

-3.09

Polar Surface Area

93.660

Acid Dissociation Constant (pKa)

8.34

Base Dissociation Constant (pKb)

4.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

F090-2245 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F090-2245 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F090-2245?
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What is the minimum amount of F090-2245 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F090-2245
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F090-2245
  • 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 F090-2245 available by request