D614-0404 Screening compound: N-{6-butyl-5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-N-[(3-chlorophenyl)methyl]butanamide

D614-0404 Screening compound: N-{6-butyl-5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-N-[(3-chlorophenyl)methyl]butanamide
D614-0404 Screening compound: N-{6-butyl-5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-N-[(3-chlorophenyl)methyl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D614-0404
N-{6-butyl-5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-N-[(3-chlorophenyl)methyl]butanamide

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

D614-0404

Molecular Formula

C21H26ClN5O2 (C21 H26 ClN5 O2)

Compound Name

N-{6-butyl-5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-N-[(3-chlorophenyl)methyl]butanamide

IUPAC name

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

SMILES

CCCCC1=C(C)Nc2nc(N(Cc3cccc(Cl)c3)C(CCC)=O)nn2C1=O

InChI

InChI=1S/C21H26ClN5O2/c1-4-6-11-17-14(3)23-20-24-21(25-27(20)19(17)29)26(18(28)8-5-2)13-15-9-7-10-16(22)12-15/h7,9-10,12H,4-6,8,11,13H2,1-3H3,(H,23,24,25)

InChI Key

SATDJYVYRDHTHR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27594690

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.92

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.572

Distribution Coefficient, logD

5.525

Water Solubility, LogSw

-5.63

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

42.90

References: we are preparing a list of scientific research reports with D614-0404 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D614-0404?
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What is the minimum amount of D614-0404 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D614-0404
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D614-0404
  • 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 D614-0404 available by request