D614-0225 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]cyclohexanecarboxamide

D614-0225 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]cyclohexanecarboxamide
D614-0225 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]cyclohexanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D614-0225
N-{6-benzyl-5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-N-[(3-chlorophenyl)methyl]cyclohexanecarboxamide

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

D614-0225

Molecular Formula

C27H28ClN5O2 (C27 H28 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]cyclohexanecarboxamide

IUPAC name

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

SMILES

CC(Nc1nc(N(Cc2cccc(Cl)c2)C(C2CCCCC2)=O)nn11)=C(Cc2ccccc2)C1=O

InChI

InChI=1S/C27H28ClN5O2/c1-18-23(16-19-9-4-2-5-10-19)25(35)33-26(29-18)30-27(31-33)32(17-20-11-8-14-22(28)15-20)24(34)21-12-6-3-7-13-21/h2,4-5,8-11,14-15,21H,3,6-7,12-13,16-17H2,1H3,(H,29,30,31)

InChI Key

ZSYADJPUXQYKED-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27594649

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490

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

6.057

Distribution Coefficient, logD

6.042

Water Solubility, LogSw

-5.90

Polar Surface Area

64.722

Acid Dissociation Constant (pKa)

8.84

Base Dissociation Constant (pKb)

-3.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with D614-0225 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D614-0225?
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What is the minimum amount of D614-0225 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D614-0225
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D614-0225
  • 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 D614-0225 available by request