D614-0325 Screening compound: N-{6-benzyl-5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-N-[(3-methoxyphenyl)methyl]cyclohexanecarboxamide

D614-0325 Screening compound: N-{6-benzyl-5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-N-[(3-methoxyphenyl)methyl]cyclohexanecarboxamide
D614-0325 Screening compound: N-{6-benzyl-5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-N-[(3-methoxyphenyl)methyl]cyclohexanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D614-0325
N-{6-benzyl-5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-N-[(3-methoxyphenyl)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

D614-0325

Molecular Formula

C28H31N5O3 (C28 H31 N5 O3)

Compound Name

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

IUPAC name

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

SMILES

CC(Nc1nc(N(Cc2cc(OC)ccc2)C(C2CCCCC2)=O)nn11)=C(Cc2ccccc2)C1=O

InChI

InChI=1S/C28H31N5O3/c1-19-24(17-20-10-5-3-6-11-20)26(35)33-27(29-19)30-28(31-33)32(25(34)22-13-7-4-8-14-22)18-21-12-9-15-23(16-21)36-2/h3,5-6,9-12,15-16,22H,4,7-8,13-14,17-18H2,1-2H3,(H,29,30,31)

InChI Key

UTHUFABZOUCXMA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27594662

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.59

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.457

Distribution Coefficient, logD

5.442

Water Solubility, LogSw

-5.26

Polar Surface Area

72.266

Acid Dissociation Constant (pKa)

8.84

Base Dissociation Constant (pKb)

-3.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.70

References: we are preparing a list of scientific research reports with D614-0325 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D614-0325?
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What is the minimum amount of D614-0325 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D614-0325
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D614-0325
  • 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 D614-0325 available by request