C307-0013 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-{[(2Z)-4-[(2-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene]methyl}benzamide

C307-0013 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-{[(2Z)-4-[(2-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene]methyl}benzamide
C307-0013 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-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 C307-0013
N-[2-(3,4-dimethoxyphenyl)ethyl]-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

C307-0013

Molecular Formula

C33H29FN2O5 (C33 H29 FN2 O5)

Compound Name

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

IUPAC name

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

SMILES

COc(ccc(CCNC(c1ccc(/C=C2\Oc(cccc3)c3N(Cc(cccc3)c3F)C2=O)cc1)=O)c1)c1OC

InChI

InChI=1S/C33H29FN2O5/c1-39-29-16-13-23(19-30(29)40-2)17-18-35-32(37)24-14-11-22(12-15-24)20-31-33(38)36(21-25-7-3-4-8-26(25)34)27-9-5-6-10-28(27)41-31/h3-16,19-20H,17-18,21H2,1-2H3,(H,35,37)

InChI Key

TWTAZUBZCIEULV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14746875

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

552.6

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.102

Distribution Coefficient, logD

5.102

Water Solubility, LogSw

-4.90

Polar Surface Area

62.548

Acid Dissociation Constant (pKa)

12.94

Base Dissociation Constant (pKb)

-3.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.20

References: we are preparing a list of scientific research reports with C307-0013 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C307-0013?
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What is the minimum amount of C307-0013 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C307-0013
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C307-0013
  • 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 C307-0013 available by request