D440-0202 Screening compound: 4-(4-amino-1,2,5-oxadiazole-3-carbonyl)-N-phenyl-1,4-diazepane-1-carboxamide

D440-0202 Screening compound: 4-(4-amino-1,2,5-oxadiazole-3-carbonyl)-N-phenyl-1,4-diazepane-1-carboxamide
D440-0202 Screening compound: 4-(4-amino-1,2,5-oxadiazole-3-carbonyl)-N-phenyl-1,4-diazepane-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D440-0202
4-(4-amino-1,2,5-oxadiazole-3-carbonyl)-N-phenyl-1,4-diazepane-1-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

D440-0202

Molecular Formula

C15H18N6O3 (C15 H18 N6 O3)

Compound Name

4-(4-amino-1,2,5-oxadiazole-3-carbonyl)-N-phenyl-1,4-diazepane-1-carboxamide

IUPAC name

4-(4-amino-125-oxadiazole-3-carbonyl)-N-phenyl-14-diazepane-1-carboxamide

SMILES

Nc1nonc1C(N(CCC1)CCN1C(Nc1ccccc1)=O)=O

InChI

InChI=1S/C15H18N6O3/c16-13-12(18-24-19-13)14(22)20-7-4-8-21(10-9-20)15(23)17-11-5-2-1-3-6-11/h1-3,5-6H,4,7-10H2,(H2,16,19)(H,17,23)

InChI Key

JFZPIPBAMIUDRV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14829180

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

330.35

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.968

Distribution Coefficient, logD

0.968

Water Solubility, LogSw

-1.75

Polar Surface Area

99.580

Acid Dissociation Constant (pKa)

14.03

Base Dissociation Constant (pKb)

2.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

D440-0202 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D440-0202 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D440-0202?
Check Price and Availability of D440-0202, 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 D440-0202 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D440-0202
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D440-0202
  • 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 D440-0202 available by request