D614-0203 Screening compound: N-{6-benzyl-5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-N-[(3-chlorophenyl)methyl]propanamide

D614-0203 Screening compound: N-{6-benzyl-5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-N-[(3-chlorophenyl)methyl]propanamide
D614-0203 Screening compound: N-{6-benzyl-5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-N-[(3-chlorophenyl)methyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D614-0203
N-{6-benzyl-5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-N-[(3-chlorophenyl)methyl]propanamide

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

D614-0203

Molecular Formula

C23H22ClN5O2 (C23 H22 ClN5 O2)

Compound Name

N-{6-benzyl-5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-N-[(3-chlorophenyl)methyl]propanamide

IUPAC name

N-{6-benzyl-5-methyl-7-oxo-4H7H-[124]triazolo[15-a]pyrimidin-2-yl}-N-[(3-chlorophenyl)methyl]propanamide

SMILES

CCC(N(Cc1cccc(Cl)c1)c(nc1NC(C)=C2Cc3ccccc3)nn1C2=O)=O

InChI

InChI=1S/C23H22ClN5O2/c1-3-20(30)28(14-17-10-7-11-18(24)12-17)23-26-22-25-15(2)19(21(31)29(22)27-23)13-16-8-5-4-6-9-16/h4-12H,3,13-14H2,1-2H3,(H,25,26,27)

InChI Key

PNNSZYMRXOUHJV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27594644

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.91

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.696

Distribution Coefficient, logD

4.680

Water Solubility, LogSw

-4.67

Polar Surface Area

64.274

Acid Dissociation Constant (pKa)

8.84

Base Dissociation Constant (pKb)

-3.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

D614-0203 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D614-0203 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D614-0203?
Check Price and Availability of D614-0203, 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 D614-0203 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D614-0203
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D614-0203
  • 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 D614-0203 available by request