C700-1147 Screening compound: N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-{6-[(3,5-dimethylpiperidin-1-yl)sulfonyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl}acetamide

C700-1147 Screening compound: N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-{6-[(3,5-dimethylpiperidin-1-yl)sulfonyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl}acetamide
C700-1147 Screening compound: N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-{6-[(3,5-dimethylpiperidin-1-yl)sulfonyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C700-1147
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-{6-[(3,5-dimethylpiperidin-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

C700-1147

Molecular Formula

C27H33N3O7S (C27 H33 N3 O7 S)

Compound Name

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

IUPAC name

N-[1-(23-dihydro-14-benzodioxin-6-yl)ethyl]-2-{6-[(35-dimethylpiperidin-1-yl)sulfonyl]-3-oxo-34-dihydro-2H-14-benzoxazin-4-yl}acetamide

SMILES

CC(c(cc1)cc2c1OCCO2)NC(CN1c(cc(cc2)S(N3CC(C)CC(C)C3)(=O)=O)c2OCC1=O)=O

InChI

InChI=1S/C27H33N3O7S/c1-17-10-18(2)14-29(13-17)38(33,34)21-5-7-23-22(12-21)30(27(32)16-37-23)15-26(31)28-19(3)20-4-6-24-25(11-20)36-9-8-35-24/h4-7,11-12,17-19H,8-10,13-16H2,1-3H3,(H,28,31)

InChI Key

MDZBCDORFFXABB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14785305

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

543.64

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.613

Distribution Coefficient, logD

2.613

Water Solubility, LogSw

-3.17

Polar Surface Area

95.104

Acid Dissociation Constant (pKa)

14.48

Base Dissociation Constant (pKb)

4.05

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

48.10

C700-1147 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C700-1147 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C700-1147?
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What is the minimum amount of C700-1147 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C700-1147
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C700-1147
  • 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 C700-1147 available by request