C307-0079 Screening compound: N-[2-(dibutylamino)ethyl]-4-{[(2Z)-4-[(2-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene]methyl}benzamide

C307-0079 Screening compound: N-[2-(dibutylamino)ethyl]-4-{[(2Z)-4-[(2-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene]methyl}benzamide
C307-0079 Screening compound: N-[2-(dibutylamino)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 C307-0079
N-[2-(dibutylamino)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

C307-0079

Molecular Formula

C33H38FN3O3 (C33 H38 FN3 O3)

Compound Name

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

IUPAC name

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

SMILES

CCCCN(CCCC)CCNC(c1ccc(/C=C2\Oc(cccc3)c3N(Cc(cccc3)c3F)C2=O)cc1)=O

InChI

InChI=1S/C33H38FN3O3/c1-3-5-20-36(21-6-4-2)22-19-35-32(38)26-17-15-25(16-18-26)23-31-33(39)37(24-27-11-7-8-12-28(27)34)29-13-9-10-14-30(29)40-31/h7-18,23H,3-6,19-22,24H2,1-2H3,(H,35,38)

InChI Key

FSGMLNMETZSIQU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14746906

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

543.68

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.673

Distribution Coefficient, logD

5.611

Water Solubility, LogSw

-5.72

Polar Surface Area

51.478

Acid Dissociation Constant (pKa)

12.35

Base Dissociation Constant (pKb)

8.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with C307-0079 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C307-0079?
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What is the minimum amount of C307-0079 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C307-0079
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C307-0079
  • 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 C307-0079 available by request