D614-0078 Screening compound: N-[(4-bromophenyl)methyl]-N-{5,6-dimethyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}propanamide

D614-0078 Screening compound: N-[(4-bromophenyl)methyl]-N-{5,6-dimethyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}propanamide
D614-0078 Screening compound: N-[(4-bromophenyl)methyl]-N-{5,6-dimethyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D614-0078
N-[(4-bromophenyl)methyl]-N-{5,6-dimethyl-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

D614-0078

Molecular Formula

C17H18BrN5O2 (C17 H18 BrN5 O2)

Compound Name

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

IUPAC name

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

SMILES

CCC(N(Cc(cc1)ccc1Br)c(nc1NC(C)=C2C)nn1C2=O)=O

InChI

InChI=1S/C17H18BrN5O2/c1-4-14(24)22(9-12-5-7-13(18)8-6-12)17-20-16-19-11(3)10(2)15(25)23(16)21-17/h5-8H,4,9H2,1-3H3,(H,19,20,21)

InChI Key

PJXAQQAEUMYREI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27594577

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.27

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.412

Distribution Coefficient, logD

3.291

Water Solubility, LogSw

-3.47

Polar Surface Area

64.545

Acid Dissociation Constant (pKa)

7.89

Base Dissociation Constant (pKb)

-3.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

D614-0078 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D614-0078 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D614-0078?
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What is the minimum amount of D614-0078 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D614-0078
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D614-0078
  • 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 D614-0078 available by request