C307-0072 Screening compound: N-{3-[cyclohexyl(methyl)amino]propyl}-4-{[(2Z)-4-[(2-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene]methyl}benzamide

C307-0072 Screening compound: N-{3-[cyclohexyl(methyl)amino]propyl}-4-{[(2Z)-4-[(2-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene]methyl}benzamide
C307-0072 Screening compound: N-{3-[cyclohexyl(methyl)amino]propyl}-4-{[(2Z)-4-[(2-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene]methyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C307-0072
N-{3-[cyclohexyl(methyl)amino]propyl}-4-{[(2Z)-4-[(2-fluorophenyl)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

C307-0072

Molecular Formula

C33H36FN3O3 (C33 H36 FN3 O3)

Compound Name

N-{3-[cyclohexyl(methyl)amino]propyl}-4-{[(2Z)-4-[(2-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene]methyl}benzamide

IUPAC name

N-{3-[cyclohexyl(methyl)amino]propyl}-4-{[(2Z)-4-[(2-fluorophenyl)methyl]-3-oxo-34-dihydro-2H-14-benzoxazin-2-ylidene]methyl}benzamide

SMILES

CN(CCCNC(c1ccc(/C=C2\Oc(cccc3)c3N(Cc(cccc3)c3F)C2=O)cc1)=O)C1CCCCC1

InChI

InChI=1S/C33H36FN3O3/c1-36(27-11-3-2-4-12-27)21-9-20-35-32(38)25-18-16-24(17-19-25)22-31-33(39)37(23-26-10-5-6-13-28(26)34)29-14-7-8-15-30(29)40-31/h5-8,10,13-19,22,27H,2-4,9,11-12,20-21,23H2,1H3,(H,35,38)

InChI Key

MBSHDLKWUCHVNE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14746904

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

541.67

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.702

Distribution Coefficient, logD

3.177

Water Solubility, LogSw

-5.35

Polar Surface Area

50.325

Acid Dissociation Constant (pKa)

14.08

Base Dissociation Constant (pKb)

9.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

C307-0072 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 C307-0072 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C307-0072?
Check Price and Availability of C307-0072, 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 C307-0072 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C307-0072
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C307-0072
  • 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 C307-0072 available by request