C648-0269 Screening compound: N-{3-[ethyl(3-methylphenyl)amino]propyl}-1-[(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)sulfonyl]piperidine-3-carboxamide

C648-0269 Screening compound: N-{3-[ethyl(3-methylphenyl)amino]propyl}-1-[(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)sulfonyl]piperidine-3-carboxamide
C648-0269 Screening compound: N-{3-[ethyl(3-methylphenyl)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 C648-0269
N-{3-[ethyl(3-methylphenyl)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

C648-0269

Molecular Formula

C26H34N4O5S (C26 H34 N4 O5 S)

Compound Name

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

IUPAC name

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

SMILES

CCN(CCCNC(C(CCC1)CN1S(c(cc1)cc(O2)c1N(C)C2=O)(=O)=O)=O)c1cc(C)ccc1

InChI

InChI=1S/C26H34N4O5S/c1-4-29(21-10-5-8-19(2)16-21)14-7-13-27-25(31)20-9-6-15-30(18-20)36(33,34)22-11-12-23-24(17-22)35-26(32)28(23)3/h5,8,10-12,16-17,20H,4,6-7,9,13-15,18H2,1-3H3,(H,27,31)/t20-/m0/s1

InChI Key

VHJDBWKBOFGRDI-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD14779222

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

514.65

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.074

Distribution Coefficient, logD

3.042

Water Solubility, LogSw

-3.60

Polar Surface Area

81.993

Acid Dissociation Constant (pKa)

13.88

Base Dissociation Constant (pKb)

6.29

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.20

C648-0269 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 C648-0269 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C648-0269?
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What is the minimum amount of C648-0269 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C648-0269
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C648-0269
  • 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 C648-0269 available by request