C700-0316 Screening compound: N-{2-[(butan-2-yl)(cyclohexyl)amino]ethyl}-4-{[(2E)-4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene]methyl}benzamide

C700-0316 Screening compound: N-{2-[(butan-2-yl)(cyclohexyl)amino]ethyl}-4-{[(2E)-4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene]methyl}benzamide
C700-0316 Screening compound: N-{2-[(butan-2-yl)(cyclohexyl)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 C700-0316
N-{2-[(butan-2-yl)(cyclohexyl)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

C700-0316

Molecular Formula

C36H43N3O3 (C36 H43 N3 O3)

Compound Name

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

SMILES

CCC(C)N(CCNC(c1ccc(/C=C2/Oc(cccc3)c3N(Cc3cc(C)ccc3)C2=O)cc1)=O)C1CCCCC1

InChI

InChI=1S/C36H43N3O3/c1-4-27(3)38(31-13-6-5-7-14-31)22-21-37-35(40)30-19-17-28(18-20-30)24-34-36(41)39(25-29-12-10-11-26(2)23-29)32-15-8-9-16-33(32)42-34/h8-12,15-20,23-24,27,31H,4-7,13-14,21-22,25H2,1-3H3,(H,37,40)/t27-/m0/s1

InChI Key

DFDIEPQRYGBSCM-MHZLTWQESA-N

MDL Number (MFCD)

MFCD14784697

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

565.76

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

7.733

Distribution Coefficient, logD

6.299

Water Solubility, LogSw

-5.49

Polar Surface Area

49.714

Acid Dissociation Constant (pKa)

12.35

Base Dissociation Constant (pKb)

8.82

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.90

C700-0316 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 C700-0316 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C700-0316?
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What is the minimum amount of C700-0316 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C700-0316
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C700-0316
  • 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 C700-0316 available by request