6604-0041 Screening compound: N-[5-(4-chlorophenyl)-7-(4-methoxyphenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-3-phenylpropanamide

6604-0041 Screening compound: N-[5-(4-chlorophenyl)-7-(4-methoxyphenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-3-phenylpropanamide
6604-0041 Screening compound: N-[5-(4-chlorophenyl)-7-(4-methoxyphenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-3-phenylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6604-0041
N-[5-(4-chlorophenyl)-7-(4-methoxyphenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-3-phenylpropanamide

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

6604-0041

Molecular Formula

C27H24ClN5O2 (C27 H24 ClN5 O2)

Compound Name

N-[5-(4-chlorophenyl)-7-(4-methoxyphenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-3-phenylpropanamide

IUPAC name

N-[5-(4-chlorophenyl)-7-(4-methoxyphenyl)-4H7H-[124]triazolo[15-a]pyrimidin-2-yl]-3-phenylpropanamide

SMILES

COc1ccc(C2n3nc(NC(CCc4ccccc4)=O)nc3NC(c(cc3)ccc3Cl)=C2)cc1

InChI

InChI=1S/C27H24ClN5O2/c1-35-22-14-10-20(11-15-22)24-17-23(19-8-12-21(28)13-9-19)29-27-31-26(32-33(24)27)30-25(34)16-7-18-5-3-2-4-6-18/h2-6,8-15,17,24H,7,16H2,1H3,(H2,29,30,31,32,34)/t24-/m1/s1

InChI Key

KRKZTLWZJGYTJU-XMMPIXPASA-N

MDL Number (MFCD)

MFCD04329687

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.97

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.958

Distribution Coefficient, logD

5.954

Water Solubility, LogSw

-6.31

Polar Surface Area

69.215

Acid Dissociation Constant (pKa)

8.78

Base Dissociation Constant (pKb)

-2.30

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

14.80

6604-0041 in Drug Discovery

Included in Screening Libraries

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

Therapeutical Diversity Annotated Library (7563 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 6604-0041 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6604-0041?
Check Price and Availability of 6604-0041, 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 6604-0041 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6604-0041
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6604-0041
  • 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 6604-0041 available by request