C700-0315 Screening compound: N-{2-[bis(2-methylpropyl)amino]ethyl}-4-{[(2E)-4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene]methyl}benzamide

C700-0315 Screening compound: N-{2-[bis(2-methylpropyl)amino]ethyl}-4-{[(2E)-4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene]methyl}benzamide
C700-0315 Screening compound: N-{2-[bis(2-methylpropyl)amino]ethyl}-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 C700-0315
N-{2-[bis(2-methylpropyl)amino]ethyl}-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

C700-0315

Molecular Formula

C34H41N3O3 (C34 H41 N3 O3)

Compound Name

N-{2-[bis(2-methylpropyl)amino]ethyl}-4-{[(2E)-4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene]methyl}benzamide

IUPAC name

N-{2-[bis(2-methylpropyl)amino]ethyl}-4-{[(2E)-4-[(3-methylphenyl)methyl]-3-oxo-34-dihydro-2H-14-benzoxazin-2-ylidene]methyl}benzamide

SMILES

CC(C)CN(CCNC(c1ccc(/C=C2/Oc(cccc3)c3N(Cc3cc(C)ccc3)C2=O)cc1)=O)CC(C)C

InChI

InChI=1S/C34H41N3O3/c1-24(2)21-36(22-25(3)4)18-17-35-33(38)29-15-13-27(14-16-29)20-32-34(39)37(23-28-10-8-9-26(5)19-28)30-11-6-7-12-31(30)40-32/h6-16,19-20,24-25H,17-18,21-23H2,1-5H3,(H,35,38)

InChI Key

HBWDFIWPAQQHHE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14784696

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

539.72

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

7.009

Distribution Coefficient, logD

5.826

Water Solubility, LogSw

-5.56

Polar Surface Area

51.521

Acid Dissociation Constant (pKa)

12.35

Base Dissociation Constant (pKb)

8.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.30

C700-0315 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 C700-0315 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C700-0315?
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What is the minimum amount of C700-0315 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C700-0315
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C700-0315
  • 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 C700-0315 available by request