F061-0176 Screening compound: 2-{4-[1-({3-methyl-5-[(1E)-2-(4-methylphenyl)ethenyl]-1,2-oxazol-4-yl}sulfonyl)piperidine-3-carbonyl]piperazin-1-yl}pyrimidine

F061-0176 Screening compound: 2-{4-[1-({3-methyl-5-[(1E)-2-(4-methylphenyl)ethenyl]-1,2-oxazol-4-yl}sulfonyl)piperidine-3-carbonyl]piperazin-1-yl}pyrimidine
F061-0176 Screening compound: 2-{4-[1-({3-methyl-5-[(1E)-2-(4-methylphenyl)ethenyl]-1,2-oxazol-4-yl}sulfonyl)piperidine-3-carbonyl]piperazin-1-yl}pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound F061-0176
2-{4-[1-({3-methyl-5-[(1E)-2-(4-methylphenyl)ethenyl]-1,2-oxazol-4-yl}sulfonyl)piperidine-3-carbonyl]piperazin-1-yl}pyrimidine

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

F061-0176

Molecular Formula

C27H32N6O4S (C27 H32 N6 O4 S)

Compound Name

2-{4-[1-({3-methyl-5-[(1E)-2-(4-methylphenyl)ethenyl]-1,2-oxazol-4-yl}sulfonyl)piperidine-3-carbonyl]piperazin-1-yl}pyrimidine

IUPAC name

2-{4-[1-({3-methyl-5-[(1E)-2-(4-methylphenyl)ethenyl]-12-oxazol-4-yl}sulfonyl)piperidine-3-carbonyl]piperazin-1-yl}pyrimidine

SMILES

Cc1noc(/C=C/c2ccc(C)cc2)c1S(N(CCC1)CC1C(N(CC1)CCN1c1ncccn1)=O)(=O)=O

InChI

InChI=1S/C27H32N6O4S/c1-20-6-8-22(9-7-20)10-11-24-25(21(2)30-37-24)38(35,36)33-14-3-5-23(19-33)26(34)31-15-17-32(18-16-31)27-28-12-4-13-29-27/h4,6-13,23H,3,5,14-19H2,1-2H3/t23-/m0/s1

InChI Key

OIBOMNSTETWKBO-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD27097636

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

536.66

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.236

Distribution Coefficient, logD

3.236

Water Solubility, LogSw

-3.26

Polar Surface Area

91.669

Acid Dissociation Constant (pKa)

21.15

Base Dissociation Constant (pKb)

2.67

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.70

References: we are preparing a list of scientific research reports with F061-0176 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F061-0176?
Check Price and Availability of F061-0176, 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 F061-0176 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F061-0176
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F061-0176
  • 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 F061-0176 available by request