D440-0220 Screening compound: ethyl 2-{[4-(4-amino-1,2,5-oxadiazole-3-carbonyl)-1,4-diazepane-1-carbonyl]amino}benzoate

D440-0220 Screening compound: ethyl 2-{[4-(4-amino-1,2,5-oxadiazole-3-carbonyl)-1,4-diazepane-1-carbonyl]amino}benzoate
D440-0220 Screening compound: ethyl 2-{[4-(4-amino-1,2,5-oxadiazole-3-carbonyl)-1,4-diazepane-1-carbonyl]amino}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D440-0220
ethyl 2-{[4-(4-amino-1,2,5-oxadiazole-3-carbonyl)-1,4-diazepane-1-carbonyl]amino}benzoate

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

D440-0220

Molecular Formula

C18H22N6O5 (C18 H22 N6 O5)

Compound Name

ethyl 2-{[4-(4-amino-1,2,5-oxadiazole-3-carbonyl)-1,4-diazepane-1-carbonyl]amino}benzoate

IUPAC name

ethyl 2-{[4-(4-amino-125-oxadiazole-3-carbonyl)-14-diazepane-1-carbonyl]amino}benzoate

SMILES

CCOC(c(cccc1)c1NC(N(CCC1)CCN1C(c1nonc1N)=O)=O)=O

InChI

InChI=1S/C18H22N6O5/c1-2-28-17(26)12-6-3-4-7-13(12)20-18(27)24-9-5-8-23(10-11-24)16(25)14-15(19)22-29-21-14/h3-4,6-7H,2,5,8-11H2,1H3,(H2,19,22)(H,20,27)

InChI Key

AOFNVMYFPJXEJX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14829188

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.41

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

1.824

Distribution Coefficient, logD

1.823

Water Solubility, LogSw

-2.50

Polar Surface Area

119.636

Acid Dissociation Constant (pKa)

10.12

Base Dissociation Constant (pKb)

-0.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.90

References: we are preparing a list of scientific research reports with D440-0220 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D440-0220?
Check Price and Availability of D440-0220, 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 D440-0220 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D440-0220
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D440-0220
  • 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 D440-0220 available by request