D440-0267 Screening compound: ethyl 2-{[4-(4-amino-1,2,5-oxadiazole-3-carbonyl)piperazine-1-carbonyl]amino}benzoate

D440-0267 Screening compound: ethyl 2-{[4-(4-amino-1,2,5-oxadiazole-3-carbonyl)piperazine-1-carbonyl]amino}benzoate
D440-0267 Screening compound: ethyl 2-{[4-(4-amino-1,2,5-oxadiazole-3-carbonyl)piperazine-1-carbonyl]amino}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D440-0267
ethyl 2-{[4-(4-amino-1,2,5-oxadiazole-3-carbonyl)piperazine-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

D440-0267

Molecular Formula

C17H20N6O5 (C17 H20 N6 O5)

Compound Name

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

IUPAC name

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

SMILES

CCOC(c(cccc1)c1NC(N(CC1)CCN1C(c1nonc1N)=O)=O)=O

InChI

InChI=1S/C17H20N6O5/c1-2-27-16(25)11-5-3-4-6-12(11)19-17(26)23-9-7-22(8-10-23)15(24)13-14(18)21-28-20-13/h3-6H,2,7-10H2,1H3,(H2,18,21)(H,19,26)

InChI Key

MIFOJRDHWJUTPR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14829213

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.38

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

1.555

Distribution Coefficient, logD

1.555

Water Solubility, LogSw

-2.37

Polar Surface Area

119.305

Acid Dissociation Constant (pKa)

10.12

Base Dissociation Constant (pKb)

-1.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.30

D440-0267 in Drug Discovery

Included in Screening Libraries

Integrin Receptors Targeted library (1715 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with D440-0267 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D440-0267?
Check Price and Availability of D440-0267, 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 D440-0267 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D440-0267
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D440-0267
  • 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 D440-0267 available by request