C064-0192 Screening compound: N-[2-(3-{[2-(2,3-DIHYDRO-1H-INDOL-1-YL)-2-OXOETHYL]SULFANYL}-1H-INDOL-1-YL)ETHYL]-2-FLUOROBENZAMIDE

C064-0192 Screening compound: N-[2-(3-{[2-(2,3-DIHYDRO-1H-INDOL-1-YL)-2-OXOETHYL]SULFANYL}-1H-INDOL-1-YL)ETHYL]-2-FLUOROBENZAMIDE
C064-0192 Screening compound: N-[2-(3-{[2-(2,3-DIHYDRO-1H-INDOL-1-YL)-2-OXOETHYL]SULFANYL}-1H-INDOL-1-YL)ETHYL]-2-FLUOROBENZAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound C064-0192
N-[2-(3-{[2-(2,3-DIHYDRO-1H-INDOL-1-YL)-2-OXOETHYL]SULFANYL}-1H-INDOL-1-YL)ETHYL]-2-FLUOROBENZAMIDE

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

C064-0192

Molecular Formula

C27H24FN3O2S (C27 H24 FN3 O2 S)

Compound Name

N-[2-(3-{[2-(2,3-DIHYDRO-1H-INDOL-1-YL)-2-OXOETHYL]SULFANYL}-1H-INDOL-1-YL)ETHYL]-2-FLUOROBENZAMIDE

IUPAC name

N-[2-(3-{[2-(23-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-1H-indol-1-yl)ethyl]-2-fluorobenzamide

SMILES

O=C(CSc1cn(CCNC(c(cccc2)c2F)=O)c2c1cccc2)N(CC1)c2c1cccc2

InChI

InChI=1S/C27H24FN3O2S/c28-22-10-4-2-8-20(22)27(33)29-14-16-30-17-25(21-9-3-6-12-24(21)30)34-18-26(32)31-15-13-19-7-1-5-11-23(19)31/h1-12,17H,13-16,18H2,(H,29,33)

InChI Key

UTRZPGSKDLIDHT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04454218

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.57

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.470

Distribution Coefficient, logD

4.470

Water Solubility, LogSw

-4.22

Polar Surface Area

41.627

Acid Dissociation Constant (pKa)

11.93

Base Dissociation Constant (pKb)

-0.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.52

C064-0192 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with C064-0192 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C064-0192?
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What is the minimum amount of C064-0192 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C064-0192
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C064-0192
  • 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 C064-0192 available by request