C648-0268 Screening compound: N-{3-[benzyl(methyl)amino]propyl}-1-[(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)sulfonyl]piperidine-3-carboxamide

C648-0268 Screening compound: N-{3-[benzyl(methyl)amino]propyl}-1-[(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)sulfonyl]piperidine-3-carboxamide
C648-0268 Screening compound: N-{3-[benzyl(methyl)amino]propyl}-1-[(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)sulfonyl]piperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C648-0268
N-{3-[benzyl(methyl)amino]propyl}-1-[(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)sulfonyl]piperidine-3-carboxamide

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

C648-0268

Molecular Formula

C25H32N4O5S (C25 H32 N4 O5 S)

Compound Name

N-{3-[benzyl(methyl)amino]propyl}-1-[(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)sulfonyl]piperidine-3-carboxamide

IUPAC name

N-{3-[benzyl(methyl)amino]propyl}-1-[(3-methyl-2-oxo-23-dihydro-13-benzoxazol-6-yl)sulfonyl]piperidine-3-carboxamide

SMILES

CN(CCCNC(C(CCC1)CN1S(c(cc1)cc(O2)c1N(C)C2=O)(=O)=O)=O)Cc1ccccc1

InChI

InChI=1S/C25H32N4O5S/c1-27(17-19-8-4-3-5-9-19)14-7-13-26-24(30)20-10-6-15-29(18-20)35(32,33)21-11-12-22-23(16-21)34-25(31)28(22)2/h3-5,8-9,11-12,16,20H,6-7,10,13-15,17-18H2,1-2H3,(H,26,30)/t20-/m0/s1

InChI Key

ZJXLWMDLPSYETD-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD14779221

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

500.62

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.816

Distribution Coefficient, logD

0.319

Water Solubility, LogSw

-2.72

Polar Surface Area

83.098

Acid Dissociation Constant (pKa)

14.45

Base Dissociation Constant (pKb)

8.88

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.00

C648-0268 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C648-0268 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C648-0268?
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What is the minimum amount of C648-0268 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C648-0268
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C648-0268
  • 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 C648-0268 available by request