C700-1138 Screening compound: 2-{6-[(3,5-dimethylpiperidin-1-yl)sulfonyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl}-N-(2-phenylethyl)acetamide

C700-1138 Screening compound: 2-{6-[(3,5-dimethylpiperidin-1-yl)sulfonyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl}-N-(2-phenylethyl)acetamide
C700-1138 Screening compound: 2-{6-[(3,5-dimethylpiperidin-1-yl)sulfonyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl}-N-(2-phenylethyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C700-1138
2-{6-[(3,5-dimethylpiperidin-1-yl)sulfonyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl}-N-(2-phenylethyl)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

C700-1138

Molecular Formula

C25H31N3O5S (C25 H31 N3 O5 S)

Compound Name

2-{6-[(3,5-dimethylpiperidin-1-yl)sulfonyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl}-N-(2-phenylethyl)acetamide

IUPAC name

2-{6-[(35-dimethylpiperidin-1-yl)sulfonyl]-3-oxo-34-dihydro-2H-14-benzoxazin-4-yl}-N-(2-phenylethyl)acetamide

SMILES

CC(CC(C)C1)CN1S(c(cc1)cc(N2CC(NCCc3ccccc3)=O)c1OCC2=O)(=O)=O

InChI

InChI=1S/C25H31N3O5S/c1-18-12-19(2)15-27(14-18)34(31,32)21-8-9-23-22(13-21)28(25(30)17-33-23)16-24(29)26-11-10-20-6-4-3-5-7-20/h3-9,13,18-19H,10-12,14-17H2,1-2H3,(H,26,29)

InChI Key

CAQZULHJAJNDOO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14785296

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.6

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.886

Distribution Coefficient, logD

2.886

Water Solubility, LogSw

-3.62

Polar Surface Area

79.959

Acid Dissociation Constant (pKa)

14.37

Base Dissociation Constant (pKb)

3.15

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

44.00

C700-1138 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 C700-1138 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C700-1138?
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What is the minimum amount of C700-1138 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C700-1138
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C700-1138
  • 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 C700-1138 available by request