C064-0037 Screening compound: N-(2-{3-[({[(furan-2-yl)methyl]carbamoyl}methyl)sulfanyl]-1H-indol-1-yl}ethyl)-4-methoxybenzamide

C064-0037 Screening compound: N-(2-{3-[({[(furan-2-yl)methyl]carbamoyl}methyl)sulfanyl]-1H-indol-1-yl}ethyl)-4-methoxybenzamide
C064-0037 Screening compound: N-(2-{3-[({[(furan-2-yl)methyl]carbamoyl}methyl)sulfanyl]-1H-indol-1-yl}ethyl)-4-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C064-0037
N-(2-{3-[({[(furan-2-yl)methyl]carbamoyl}methyl)sulfanyl]-1H-indol-1-yl}ethyl)-4-methoxybenzamide

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

C064-0037

Molecular Formula

C25H25N3O4S (C25 H25 N3 O4 S)

Compound Name

N-(2-{3-[({[(furan-2-yl)methyl]carbamoyl}methyl)sulfanyl]-1H-indol-1-yl}ethyl)-4-methoxybenzamide

IUPAC name

N-(2-{3-[({[(furan-2-yl)methyl]carbamoyl}methyl)sulfanyl]-1H-indol-1-yl}ethyl)-4-methoxybenzamide

SMILES

COc(cc1)ccc1C(NCCn1c(cccc2)c2c(SCC(NCc2ccco2)=O)c1)=O

InChI

InChI=1S/C25H25N3O4S/c1-31-19-10-8-18(9-11-19)25(30)26-12-13-28-16-23(21-6-2-3-7-22(21)28)33-17-24(29)27-15-20-5-4-14-32-20/h2-11,14,16H,12-13,15,17H2,1H3,(H,26,30)(H,27,29)

InChI Key

OMJXBESEKMVXDM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04454077

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.505

Distribution Coefficient, logD

3.505

Water Solubility, LogSw

-3.59

Polar Surface Area

65.968

Acid Dissociation Constant (pKa)

12.97

Base Dissociation Constant (pKb)

-2.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

C064-0037 in Drug Discovery

Included in Screening Libraries

CNS targets activity set (6557 compounds)

Human Kinases Annotated Library (2415 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C064-0037 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C064-0037?
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What is the minimum amount of C064-0037 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C064-0037
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C064-0037
  • 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 C064-0037 available by request