D440-0175 Screening compound: 4-amino-N-(2-{[(3-chloro-4-fluorophenyl)carbamoyl]amino}ethyl)-1,2,5-oxadiazole-3-carboxamide

D440-0175 Screening compound: 4-amino-N-(2-{[(3-chloro-4-fluorophenyl)carbamoyl]amino}ethyl)-1,2,5-oxadiazole-3-carboxamide
D440-0175 Screening compound: 4-amino-N-(2-{[(3-chloro-4-fluorophenyl)carbamoyl]amino}ethyl)-1,2,5-oxadiazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D440-0175
4-amino-N-(2-{[(3-chloro-4-fluorophenyl)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

D440-0175

Molecular Formula

C12H12ClFN6O3 (C12 H12 ClFN6 O3)

Compound Name

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

IUPAC name

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

SMILES

Nc1nonc1C(NCCNC(Nc(cc1)cc(Cl)c1F)=O)=O

InChI

InChI=1S/C12H12ClFN6O3/c13-7-5-6(1-2-8(7)14)18-12(22)17-4-3-16-11(21)9-10(15)20-23-19-9/h1-2,5H,3-4H2,(H2,15,20)(H,16,21)(H2,17,18,22)

InChI Key

XHEXAZVGKUKEDU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27586283

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.72

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

5.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.249

Distribution Coefficient, logD

1.248

Water Solubility, LogSw

-2.67

Polar Surface Area

115.316

Acid Dissociation Constant (pKa)

10.14

Base Dissociation Constant (pKb)

-0.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

D440-0175 in Drug Discovery

Included in Screening Libraries

Protein Kinases Inhibitors Library (36801 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D440-0175 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D440-0175?
Check Price and Availability of D440-0175, 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 D440-0175 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D440-0175
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D440-0175
  • 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 D440-0175 available by request