0167-0091 Screening compound: benzyl 3-(1-acetyl-1H-indol-3-yl)-3-(benzylsulfanyl)-2-(N-hydroxyamino)propanoate

0167-0091 Screening compound: benzyl 3-(1-acetyl-1H-indol-3-yl)-3-(benzylsulfanyl)-2-(N-hydroxyamino)propanoate
0167-0091 Screening compound: benzyl 3-(1-acetyl-1H-indol-3-yl)-3-(benzylsulfanyl)-2-(N-hydroxyamino)propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0167-0091
benzyl 3-(1-acetyl-1H-indol-3-yl)-3-(benzylsulfanyl)-2-(N-hydroxyamino)propanoate

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

0167-0091

Molecular Formula

C27H26N2O4S (C27 H26 N2 O4 S)

Compound Name

benzyl 3-(1-acetyl-1H-indol-3-yl)-3-(benzylsulfanyl)-2-(N-hydroxyamino)propanoate

IUPAC name

benzyl 3-(1-acetyl-1H-indol-3-yl)-3-(benzylsulfanyl)-2-(N-hydroxyamino)propanoate

SMILES

CC(n1c(cccc2)c2c(C(C(C(OCc2ccccc2)=O)NO)SCc2ccccc2)c1)=O

InChI

InChI=1S/C27H26N2O4S/c1-19(30)29-16-23(22-14-8-9-15-24(22)29)26(34-18-21-12-6-3-7-13-21)25(28-32)27(31)33-17-20-10-4-2-5-11-20/h2-16,25-26,28,32H,17-18H2,1H3

InChI Key

DNWGJDISEKOIDS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00327176

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.58

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.284

Distribution Coefficient, logD

4.284

Water Solubility, LogSw

-4.26

Polar Surface Area

69.372

Acid Dissociation Constant (pKa)

11.17

Base Dissociation Constant (pKb)

0.99

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

18.50

0167-0091 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 0167-0091 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0167-0091?
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What is the minimum amount of 0167-0091 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0167-0091
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0167-0091
  • 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 0167-0091 available by request