D614-0149 Screening compound: N-{5,6-dimethyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-N-[(4-ethoxyphenyl)methyl]-3-methylbutanamide

D614-0149 Screening compound: N-{5,6-dimethyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-N-[(4-ethoxyphenyl)methyl]-3-methylbutanamide
D614-0149 Screening compound: N-{5,6-dimethyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-N-[(4-ethoxyphenyl)methyl]-3-methylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D614-0149
N-{5,6-dimethyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-N-[(4-ethoxyphenyl)methyl]-3-methylbutanamide

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

D614-0149

Molecular Formula

C21H27N5O3 (C21 H27 N5 O3)

Compound Name

N-{5,6-dimethyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-N-[(4-ethoxyphenyl)methyl]-3-methylbutanamide

IUPAC name

N-{56-dimethyl-7-oxo-4H7H-[124]triazolo[15-a]pyrimidin-2-yl}-N-[(4-ethoxyphenyl)methyl]-3-methylbutanamide

SMILES

CCOc1ccc(CN(C(CC(C)C)=O)c(nc2NC(C)=C3C)nn2C3=O)cc1

InChI

InChI=1S/C21H27N5O3/c1-6-29-17-9-7-16(8-10-17)12-25(18(27)11-13(2)3)21-23-20-22-15(5)14(4)19(28)26(20)24-21/h7-10,13H,6,11-12H2,1-5H3,(H,22,23,24)

InChI Key

SFMDWIDCSRAWTL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27594610

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.48

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

3.768

Distribution Coefficient, logD

3.647

Water Solubility, LogSw

-3.91

Polar Surface Area

71.669

Acid Dissociation Constant (pKa)

7.89

Base Dissociation Constant (pKb)

-3.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

References: we are preparing a list of scientific research reports with D614-0149 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D614-0149?
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What is the minimum amount of D614-0149 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D614-0149
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D614-0149
  • 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 D614-0149 available by request