D481-0756 Screening compound: N-[7-(2-chloro-6-fluorophenyl)-5-(4-chlorophenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]butanamide

D481-0756 Screening compound: N-[7-(2-chloro-6-fluorophenyl)-5-(4-chlorophenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]butanamide
D481-0756 Screening compound: N-[7-(2-chloro-6-fluorophenyl)-5-(4-chlorophenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D481-0756
N-[7-(2-chloro-6-fluorophenyl)-5-(4-chlorophenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]butanamide

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

D481-0756

Molecular Formula

C21H18Cl2FN5O (C21 H18 Cl2 FN5 O)

Compound Name

N-[7-(2-chloro-6-fluorophenyl)-5-(4-chlorophenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]butanamide

IUPAC name

N-[7-(2-chloro-6-fluorophenyl)-5-(4-chlorophenyl)-4H7H-[124]triazolo[15-a]pyrimidin-2-yl]butanamide

SMILES

CCCC(Nc1nn(C(C=C(c(cc2)ccc2Cl)N2)c(c(F)ccc3)c3Cl)c2n1)=O

InChI

InChI=1S/C21H18Cl2FN5O/c1-2-4-18(30)26-20-27-21-25-16(12-7-9-13(22)10-8-12)11-17(29(21)28-20)19-14(23)5-3-6-15(19)24/h3,5-11,17H,2,4H2,1H3,(H2,25,26,27,28,30)/t17-/m0/s1

InChI Key

JCJMNPUZYVZXMZ-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD27588878

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.31

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.295

Distribution Coefficient, logD

5.293

Water Solubility, LogSw

-5.94

Polar Surface Area

61.943

Acid Dissociation Constant (pKa)

9.18

Base Dissociation Constant (pKb)

-2.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.00

D481-0756 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

Protein-Protein Interaction Library (218420 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Targets:
  • GPCR

References: we are preparing a list of scientific research reports with D481-0756 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D481-0756?
Check Price and Availability of D481-0756, 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 D481-0756 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D481-0756
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D481-0756
  • 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 D481-0756 available by request