C700-0321 Screening compound: N-[3-(dibutylamino)propyl]-4-{[(2E)-4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene]methyl}benzamide

C700-0321 Screening compound: N-[3-(dibutylamino)propyl]-4-{[(2E)-4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene]methyl}benzamide
C700-0321 Screening compound: N-[3-(dibutylamino)propyl]-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 C700-0321
N-[3-(dibutylamino)propyl]-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

C700-0321

Molecular Formula

C35H43N3O3 (C35 H43 N3 O3)

Compound Name

N-[3-(dibutylamino)propyl]-4-{[(2E)-4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene]methyl}benzamide

IUPAC name

N-[3-(dibutylamino)propyl]-4-{[(2E)-4-[(3-methylphenyl)methyl]-3-oxo-34-dihydro-2H-14-benzoxazin-2-ylidene]methyl}benzamide

SMILES

CCCCN(CCCC)CCCNC(c1ccc(/C=C2/Oc(cccc3)c3N(Cc3cc(C)ccc3)C2=O)cc1)=O

InChI

InChI=1S/C35H43N3O3/c1-4-6-21-37(22-7-5-2)23-11-20-36-34(39)30-18-16-28(17-19-30)25-33-35(40)38(26-29-13-10-12-27(3)24-29)31-14-8-9-15-32(31)41-33/h8-10,12-19,24-25H,4-7,11,20-23,26H2,1-3H3,(H,36,39)

InChI Key

UXBAIMHZSFUVRO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14784702

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

553.74

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

15.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

7.302

Distribution Coefficient, logD

4.638

Water Solubility, LogSw

-5.54

Polar Surface Area

51.478

Acid Dissociation Constant (pKa)

14.08

Base Dissociation Constant (pKb)

10.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.10

References: we are preparing a list of scientific research reports with C700-0321 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C700-0321?
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What is the minimum amount of C700-0321 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C700-0321
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C700-0321
  • 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 C700-0321 available by request