C700-0808 Screening compound: N-[1-(adamantan-1-yl)ethyl]-2-{6-[(4-methylpiperidin-1-yl)sulfonyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl}acetamide

C700-0808 Screening compound: N-[1-(adamantan-1-yl)ethyl]-2-{6-[(4-methylpiperidin-1-yl)sulfonyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl}acetamide
C700-0808 Screening compound: N-[1-(adamantan-1-yl)ethyl]-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 C700-0808
N-[1-(adamantan-1-yl)ethyl]-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

C700-0808

Molecular Formula

C28H39N3O5S (C28 H39 N3 O5 S)

Compound Name

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

IUPAC name

2-{6-[(4-methylpiperidin-1-yl)sulfonyl]-3-oxo-34-dihydro-2H-14-benzoxazin-4-yl}-N-{1-[(3R5S7s)-adamantan-1-yl]ethyl}acetamide

SMILES

CC(C1(C[C@H](C2)C3)C[C@H]3C[C@H]2C1)NC(CN1c(cc(cc2)S(N3CCC(C)CC3)(=O)=O)c2OCC1=O)=O

InChI

InChI=1S/C28H39N3O5S/c1-18-5-7-30(8-6-18)37(34,35)23-3-4-25-24(12-23)31(27(33)17-36-25)16-26(32)29-19(2)28-13-20-9-21(14-28)11-22(10-20)15-28/h3-4,12,18-22H,5-11,13-17H2,1-2H3,(H,29,32)/t19-,20?,21?,22?,28?/m0/s1

InChI Key

IGZFJUYZZIWKKX-ZBBKGZSWSA-N

MDL Number (MFCD)

MFCD14785074

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

529.7

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.147

Distribution Coefficient, logD

4.147

Water Solubility, LogSw

-4.30

Polar Surface Area

79.447

Acid Dissociation Constant (pKa)

14.55

Base Dissociation Constant (pKb)

1.32

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

71.40

C700-0808 in Drug Discovery

Included in Screening Libraries

GABA Library (7115 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • GPCR
  • Ion Channels
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C700-0808 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C700-0808?
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What is the minimum amount of C700-0808 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C700-0808
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C700-0808
  • 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 C700-0808 available by request