F061-1336 Screening compound: 1-[1-({5-[(1E)-2-(2,5-dimethylphenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl}sulfonyl)piperidine-3-carbonyl]-2,3-dihydro-1H-indole

F061-1336 Screening compound: 1-[1-({5-[(1E)-2-(2,5-dimethylphenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl}sulfonyl)piperidine-3-carbonyl]-2,3-dihydro-1H-indole
F061-1336 Screening compound: 1-[1-({5-[(1E)-2-(2,5-dimethylphenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl}sulfonyl)piperidine-3-carbonyl]-2,3-dihydro-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound F061-1336
1-[1-({5-[(1E)-2-(2,5-dimethylphenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl}sulfonyl)piperidine-3-carbonyl]-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

F061-1336

Molecular Formula

C28H31N3O4S (C28 H31 N3 O4 S)

Compound Name

1-[1-({5-[(1E)-2-(2,5-dimethylphenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl}sulfonyl)piperidine-3-carbonyl]-2,3-dihydro-1H-indole

IUPAC name

1-[1-({5-[(1E)-2-(25-dimethylphenyl)ethenyl]-3-methyl-12-oxazol-4-yl}sulfonyl)piperidine-3-carbonyl]-23-dihydro-1H-indole

SMILES

Cc1noc(/C=C/c2c(C)ccc(C)c2)c1S(N(CCC1)CC1C(N(CC1)c2c1cccc2)=O)(=O)=O

InChI

InChI=1S/C28H31N3O4S/c1-19-10-11-20(2)23(17-19)12-13-26-27(21(3)29-35-26)36(33,34)30-15-6-8-24(18-30)28(32)31-16-14-22-7-4-5-9-25(22)31/h4-5,7,9-13,17,24H,6,8,14-16,18H2,1-3H3/t24-/m0/s1

InChI Key

XJDLTKAIZVRIDT-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD27097729

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

505.64

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.650

Distribution Coefficient, logD

4.650

Water Solubility, LogSw

-4.41

Polar Surface Area

69.077

Acid Dissociation Constant (pKa)

21.14

Base Dissociation Constant (pKb)

-0.78

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.70

F061-1336 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with F061-1336 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F061-1336?
Check Price and Availability of F061-1336, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of F061-1336 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F061-1336
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F061-1336
  • 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 F061-1336 available by request