D614-0085 Screening compound: N-[(4-bromophenyl)methyl]-N-{5,6-dimethyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-4-fluorobenzamide

D614-0085 Screening compound: N-[(4-bromophenyl)methyl]-N-{5,6-dimethyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-4-fluorobenzamide
D614-0085 Screening compound: N-[(4-bromophenyl)methyl]-N-{5,6-dimethyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-4-fluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D614-0085
N-[(4-bromophenyl)methyl]-N-{5,6-dimethyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-4-fluorobenzamide

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

D614-0085

Molecular Formula

C21H17BrFN5O2 (C21 H17 BrFN5 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}-4-fluorobenzamide

IUPAC name

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

SMILES

CC1=C(C)Nc2nc(N(Cc(cc3)ccc3Br)C(c(cc3)ccc3F)=O)nn2C1=O

InChI

InChI=1S/C21H17BrFN5O2/c1-12-13(2)24-20-25-21(26-28(20)18(12)29)27(11-14-3-7-16(22)8-4-14)19(30)15-5-9-17(23)10-6-15/h3-10H,11H2,1-2H3,(H,24,25,26)

InChI Key

IKEFZBCKHJBOSI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27594581

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.3

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

4.338

Distribution Coefficient, logD

3.958

Water Solubility, LogSw

-4.32

Polar Surface Area

64.801

Acid Dissociation Constant (pKa)

7.25

Base Dissociation Constant (pKb)

-3.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

D614-0085 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D614-0085 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D614-0085?
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What is the minimum amount of D614-0085 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D614-0085
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D614-0085
  • 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 D614-0085 available by request