F322-0180 Screening compound: 1-{[2,5-dimethyl-4-(1,2-oxazol-5-yl)thiophen-3-yl]sulfonyl}-2-methyl-2,3-dihydro-1H-indole

F322-0180 Screening compound: 1-{[2,5-dimethyl-4-(1,2-oxazol-5-yl)thiophen-3-yl]sulfonyl}-2-methyl-2,3-dihydro-1H-indole
F322-0180 Screening compound: 1-{[2,5-dimethyl-4-(1,2-oxazol-5-yl)thiophen-3-yl]sulfonyl}-2-methyl-2,3-dihydro-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound F322-0180
1-{[2,5-dimethyl-4-(1,2-oxazol-5-yl)thiophen-3-yl]sulfonyl}-2-methyl-2,3-dihydro-1H-indole

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

F322-0180

Molecular Formula

C18H18N2O3S2 (C18 H18 N2 O3 S2)

Compound Name

1-{[2,5-dimethyl-4-(1,2-oxazol-5-yl)thiophen-3-yl]sulfonyl}-2-methyl-2,3-dihydro-1H-indole

IUPAC name

1-{[25-dimethyl-4-(12-oxazol-5-yl)thiophen-3-yl]sulfonyl}-2-methyl-23-dihydro-1H-indole

SMILES

CC(Cc1c2cccc1)N2S(c1c(C)sc(C)c1-c1ccno1)(=O)=O

InChI

InChI=1S/C18H18N2O3S2/c1-11-10-14-6-4-5-7-15(14)20(11)25(21,22)18-13(3)24-12(2)17(18)16-8-9-19-23-16/h4-9,11H,10H2,1-3H3/t11-/m0/s1

InChI Key

RAQOABTUQVHJDF-NSHDSACASA-N

MDL Number (MFCD)

MFCD27115727

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.725

Distribution Coefficient, logD

3.725

Water Solubility, LogSw

-4.25

Polar Surface Area

54.360

Acid Dissociation Constant (pKa)

26.25

Base Dissociation Constant (pKb)

-1.29

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.80

F322-0180 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 F322-0180 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F322-0180?
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What is the minimum amount of F322-0180 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F322-0180
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F322-0180
  • 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 F322-0180 available by request