C700-0235 Screening compound: N-{3-[benzyl(propan-2-yl)amino]propyl}-2-{6-[(4-methylpiperidin-1-yl)sulfonyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl}acetamide

C700-0235 Screening compound: N-{3-[benzyl(propan-2-yl)amino]propyl}-2-{6-[(4-methylpiperidin-1-yl)sulfonyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl}acetamide
C700-0235 Screening compound: N-{3-[benzyl(propan-2-yl)amino]propyl}-2-{6-[(4-methylpiperidin-1-yl)sulfonyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C700-0235
N-{3-[benzyl(propan-2-yl)amino]propyl}-2-{6-[(4-methylpiperidin-1-yl)sulfonyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl}acetamide

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

C700-0235

Molecular Formula

C29H40N4O5S (C29 H40 N4 O5 S)

Compound Name

N-{3-[benzyl(propan-2-yl)amino]propyl}-2-{6-[(4-methylpiperidin-1-yl)sulfonyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl}acetamide

IUPAC name

N-{3-[benzyl(propan-2-yl)amino]propyl}-2-{6-[(4-methylpiperidin-1-yl)sulfonyl]-3-oxo-34-dihydro-2H-14-benzoxazin-4-yl}acetamide

SMILES

CC(C)N(CCCNC(CN1c(cc(cc2)S(N3CCC(C)CC3)(=O)=O)c2OCC1=O)=O)Cc1ccccc1

InChI

InChI=1S/C29H40N4O5S/c1-22(2)31(19-24-8-5-4-6-9-24)15-7-14-30-28(34)20-33-26-18-25(10-11-27(26)38-21-29(33)35)39(36,37)32-16-12-23(3)13-17-32/h4-6,8-11,18,22-23H,7,12-17,19-21H2,1-3H3,(H,30,34)

InChI Key

RKYMSCHYEHODID-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14784633

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

556.73

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.235

Distribution Coefficient, logD

1.231

Water Solubility, LogSw

-3.70

Polar Surface Area

83.689

Acid Dissociation Constant (pKa)

15.51

Base Dissociation Constant (pKb)

9.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

51.70

C700-0235 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

Dark Chemical Matter Library (18430 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 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
  • Pool
  • Mimetics
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C700-0235 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C700-0235?
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What is the minimum amount of C700-0235 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C700-0235
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C700-0235
  • 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 C700-0235 available by request