4534-3624 Screening compound: (3E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[({[(4-methoxyphenyl)methoxy]carbonyl}amino)imino]butanamide

4534-3624 Screening compound: (3E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[({[(4-methoxyphenyl)methoxy]carbonyl}amino)imino]butanamide
4534-3624 Screening compound: (3E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[({[(4-methoxyphenyl)methoxy]carbonyl}amino)imino]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4534-3624
(3E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[({[(4-methoxyphenyl)methoxy]carbonyl}amino)imino]butanamide

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

4534-3624

Molecular Formula

C21H23N3O6 (C21 H23 N3 O6)

Compound Name

(3E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[({[(4-methoxyphenyl)methoxy]carbonyl}amino)imino]butanamide

IUPAC name

(3E)-N-(23-dihydro-14-benzodioxin-6-yl)-3-[({[(4-methoxyphenyl)methoxy]carbonyl}amino)imino]butanamide

SMILES

C/C(/CC(Nc(cc1)cc2c1OCCO2)=O)=N\NC(OCc(cc1)ccc1OC)=O

InChI

InChI=1S/C21H23N3O6/c1-14(23-24-21(26)30-13-15-3-6-17(27-2)7-4-15)11-20(25)22-16-5-8-18-19(12-16)29-10-9-28-18/h3-8,12H,9-11,13H2,1-2H3,(H,22,25)(H,24,26)

InChI Key

CXYYYOMYLMSITH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00752437

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.43

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.295

Distribution Coefficient, logD

2.294

Water Solubility, LogSw

-2.95

Polar Surface Area

89.896

Acid Dissociation Constant (pKa)

10.00

Base Dissociation Constant (pKb)

4.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

References: we are preparing a list of scientific research reports with 4534-3624 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4534-3624?
Check Price and Availability of 4534-3624, 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 4534-3624 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4534-3624
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4534-3624
  • 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 4534-3624 available by request