D614-0099 Screening compound: N-[(4-bromophenyl)methyl]-N-{5,6-dimethyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-3-methylbutanamide

D614-0099 Screening compound: N-[(4-bromophenyl)methyl]-N-{5,6-dimethyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-3-methylbutanamide
D614-0099 Screening compound: N-[(4-bromophenyl)methyl]-N-{5,6-dimethyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-3-methylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D614-0099
N-[(4-bromophenyl)methyl]-N-{5,6-dimethyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-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

D614-0099

Molecular Formula

C19H22BrN5O2 (C19 H22 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}-3-methylbutanamide

IUPAC name

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

SMILES

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

InChI

InChI=1S/C19H22BrN5O2/c1-11(2)9-16(26)24(10-14-5-7-15(20)8-6-14)19-22-18-21-13(4)12(3)17(27)25(18)23-19/h5-8,11H,9-10H2,1-4H3,(H,21,22,23)

InChI Key

XMIMZZXWGLUTHC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27594591

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.32

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.233

Distribution Coefficient, logD

4.112

Water Solubility, LogSw

-4.21

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

36.80

References: we are preparing a list of scientific research reports with D614-0099 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D614-0099?
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What is the minimum amount of D614-0099 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D614-0099
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D614-0099
  • 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 D614-0099 available by request