D614-0478 Screening compound: N-[(4-bromophenyl)methyl]-N-{6-butyl-5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}propanamide

D614-0478 Screening compound: N-[(4-bromophenyl)methyl]-N-{6-butyl-5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}propanamide
D614-0478 Screening compound: N-[(4-bromophenyl)methyl]-N-{6-butyl-5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D614-0478
N-[(4-bromophenyl)methyl]-N-{6-butyl-5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}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

D614-0478

Molecular Formula

C20H24BrN5O2 (C20 H24 BrN5 O2)

Compound Name

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

IUPAC name

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

SMILES

CCCCC1=C(C)Nc2nc(N(Cc(cc3)ccc3Br)C(CC)=O)nn2C1=O

InChI

InChI=1S/C20H24BrN5O2/c1-4-6-7-16-13(3)22-19-23-20(24-26(19)18(16)28)25(17(27)5-2)12-14-8-10-15(21)11-9-14/h8-11H,4-7,12H2,1-3H3,(H,22,23,24)

InChI Key

FASNCXDMTHWRFU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27594705

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.35

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.996

Distribution Coefficient, logD

4.948

Water Solubility, LogSw

-4.47

Polar Surface Area

64.545

Acid Dissociation Constant (pKa)

8.34

Base Dissociation Constant (pKb)

-2.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

References: we are preparing a list of scientific research reports with D614-0478 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D614-0478?
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What is the minimum amount of D614-0478 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D614-0478
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D614-0478
  • 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 D614-0478 available by request