C648-0101 Screening compound: 6-({3-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]piperidin-1-yl}sulfonyl)-3-methyl-2,3-dihydro-1,3-benzoxazol-2-one

C648-0101 Screening compound: 6-({3-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]piperidin-1-yl}sulfonyl)-3-methyl-2,3-dihydro-1,3-benzoxazol-2-one
C648-0101 Screening compound: 6-({3-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]piperidin-1-yl}sulfonyl)-3-methyl-2,3-dihydro-1,3-benzoxazol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C648-0101
6-({3-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]piperidin-1-yl}sulfonyl)-3-methyl-2,3-dihydro-1,3-benzoxazol-2-one

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

C648-0101

Molecular Formula

C26H32N4O5S (C26 H32 N4 O5 S)

Compound Name

6-({3-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]piperidin-1-yl}sulfonyl)-3-methyl-2,3-dihydro-1,3-benzoxazol-2-one

IUPAC name

6-({3-[4-(25-dimethylphenyl)piperazine-1-carbonyl]piperidin-1-yl}sulfonyl)-3-methyl-23-dihydro-13-benzoxazol-2-one

SMILES

Cc1cc(N(CC2)CCN2C(C(CCC2)CN2S(c(cc2)cc(O3)c2N(C)C3=O)(=O)=O)=O)c(C)cc1

InChI

InChI=1S/C26H32N4O5S/c1-18-6-7-19(2)23(15-18)28-11-13-29(14-12-28)25(31)20-5-4-10-30(17-20)36(33,34)21-8-9-22-24(16-21)35-26(32)27(22)3/h6-9,15-16,20H,4-5,10-14,17H2,1-3H3/t20-/m0/s1

InChI Key

LHXNMKZDGNMNGZ-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD14779144

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

512.63

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.338

Distribution Coefficient, logD

3.338

Water Solubility, LogSw

-3.84

Polar Surface Area

74.356

Acid Dissociation Constant (pKa)

22.98

Base Dissociation Constant (pKb)

5.33

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.20

C648-0101 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with C648-0101 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C648-0101?
Check Price and Availability of C648-0101, 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 C648-0101 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C648-0101
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C648-0101
  • 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 C648-0101 available by request