D440-0198 Screening compound: 4-amino-N-(2-{[(4-ethoxyphenyl)carbamoyl]amino}ethyl)-1,2,5-oxadiazole-3-carboxamide

D440-0198 Screening compound: 4-amino-N-(2-{[(4-ethoxyphenyl)carbamoyl]amino}ethyl)-1,2,5-oxadiazole-3-carboxamide
D440-0198 Screening compound: 4-amino-N-(2-{[(4-ethoxyphenyl)carbamoyl]amino}ethyl)-1,2,5-oxadiazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D440-0198
4-amino-N-(2-{[(4-ethoxyphenyl)carbamoyl]amino}ethyl)-1,2,5-oxadiazole-3-carboxamide

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

D440-0198

Molecular Formula

C14H18N6O4 (C14 H18 N6 O4)

Compound Name

4-amino-N-(2-{[(4-ethoxyphenyl)carbamoyl]amino}ethyl)-1,2,5-oxadiazole-3-carboxamide

IUPAC name

4-amino-N-(2-{[(4-ethoxyphenyl)carbamoyl]amino}ethyl)-125-oxadiazole-3-carboxamide

SMILES

CCOc(cc1)ccc1NC(NCCNC(c1nonc1N)=O)=O

InChI

InChI=1S/C14H18N6O4/c1-2-23-10-5-3-9(4-6-10)18-14(22)17-8-7-16-13(21)11-12(15)20-24-19-11/h3-6H,2,7-8H2,1H3,(H2,15,20)(H,16,21)(H2,17,18,22)

InChI Key

DQTBMOXTKJYEFH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14829178

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

334.33

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

5.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.888

Distribution Coefficient, logD

0.888

Water Solubility, LogSw

-2.11

Polar Surface Area

122.440

Acid Dissociation Constant (pKa)

13.49

Base Dissociation Constant (pKb)

3.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

D440-0198 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with D440-0198 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D440-0198?
Check Price and Availability of D440-0198, 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 D440-0198 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D440-0198
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D440-0198
  • 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 D440-0198 available by request