S399-1940 Screening compound: 3-[(1-acetyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]-N-{2-[5-(pyridin-4-yl)-1,2,4-oxadiazol-3-yl]ethyl}propanamide

S399-1940 Screening compound: 3-[(1-acetyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]-N-{2-[5-(pyridin-4-yl)-1,2,4-oxadiazol-3-yl]ethyl}propanamide
S399-1940 Screening compound: 3-[(1-acetyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]-N-{2-[5-(pyridin-4-yl)-1,2,4-oxadiazol-3-yl]ethyl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S399-1940
3-[(1-acetyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]-N-{2-[5-(pyridin-4-yl)-1,2,4-oxadiazol-3-yl]ethyl}propanamide

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

S399-1940

Molecular Formula

C22H23N5O5S (C22 H23 N5 O5 S)

Compound Name

3-[(1-acetyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]-N-{2-[5-(pyridin-4-yl)-1,2,4-oxadiazol-3-yl]ethyl}propanamide

IUPAC name

3-[(1-acetyl-23-dihydro-1H-indol-5-yl)sulfonyl]-N-{2-[5-(pyridin-4-yl)-124-oxadiazol-3-yl]ethyl}propanamide

SMILES

CC(N(CC1)c(cc2)c1cc2S(CCC(NCCc1noc(-c2ccncc2)n1)=O)(=O)=O)=O

InChI

InChI=1S/C22H23N5O5S/c1-15(28)27-12-7-17-14-18(2-3-19(17)27)33(30,31)13-8-21(29)24-11-6-20-25-22(32-26-20)16-4-9-23-10-5-16/h2-5,9-10,14H,6-8,11-13H2,1H3,(H,24,29)

InChI Key

JUOHJKZVBFQIDN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31960412

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.52

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.075

Distribution Coefficient, logD

0.074

Water Solubility, LogSw

-2.06

Polar Surface Area

111.830

Acid Dissociation Constant (pKa)

14.10

Base Dissociation Constant (pKb)

4.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.82

S399-1940 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 S399-1940 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S399-1940?
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What is the minimum amount of S399-1940 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S399-1940
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S399-1940
  • 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 S399-1940 available by request