C700-0314 Screening compound: N-[3-(butylsulfanyl)propyl]-4-{[(2E)-4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene]methyl}benzamide

C700-0314 Screening compound: N-[3-(butylsulfanyl)propyl]-4-{[(2E)-4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene]methyl}benzamide
C700-0314 Screening compound: N-[3-(butylsulfanyl)propyl]-4-{[(2E)-4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene]methyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C700-0314
N-[3-(butylsulfanyl)propyl]-4-{[(2E)-4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene]methyl}benzamide

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

C700-0314

Molecular Formula

C31H34N2O3S (C31 H34 N2 O3 S)

Compound Name

N-[3-(butylsulfanyl)propyl]-4-{[(2E)-4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene]methyl}benzamide

IUPAC name

N-[3-(butylsulfanyl)propyl]-4-{[(2E)-4-[(3-methylphenyl)methyl]-3-oxo-34-dihydro-2H-14-benzoxazin-2-ylidene]methyl}benzamide

SMILES

CCCCSCCCNC(c1ccc(/C=C2/Oc(cccc3)c3N(Cc3cc(C)ccc3)C2=O)cc1)=O

InChI

InChI=1S/C31H34N2O3S/c1-3-4-18-37-19-8-17-32-30(34)26-15-13-24(14-16-26)21-29-31(35)33(22-25-10-7-9-23(2)20-25)27-11-5-6-12-28(27)36-29/h5-7,9-16,20-21H,3-4,8,17-19,22H2,1-2H3,(H,32,34)

InChI Key

FOIZQYMXKJNJIJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14784695

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

514.69

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.624

Distribution Coefficient, logD

6.624

Water Solubility, LogSw

-5.61

Polar Surface Area

47.559

Acid Dissociation Constant (pKa)

14.08

Base Dissociation Constant (pKb)

-2.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.00

C700-0314 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with C700-0314 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C700-0314?
Check Price and Availability of C700-0314, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C700-0314 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C700-0314
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C700-0314
  • 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 C700-0314 available by request