D614-0097 Screening compound: N-[(4-bromophenyl)methyl]-N-{5,6-dimethyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}furan-2-carboxamide

D614-0097 Screening compound: N-[(4-bromophenyl)methyl]-N-{5,6-dimethyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}furan-2-carboxamide
D614-0097 Screening compound: N-[(4-bromophenyl)methyl]-N-{5,6-dimethyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}furan-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D614-0097
N-[(4-bromophenyl)methyl]-N-{5,6-dimethyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}furan-2-carboxamide

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

D614-0097

Molecular Formula

C19H16BrN5O3 (C19 H16 BrN5 O3)

Compound Name

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

IUPAC name

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

SMILES

CC1=C(C)Nc2nc(N(Cc(cc3)ccc3Br)C(c3ccco3)=O)nn2C1=O

InChI

InChI=1S/C19H16BrN5O3/c1-11-12(2)21-18-22-19(23-25(18)16(11)26)24(17(27)15-4-3-9-28-15)10-13-5-7-14(20)8-6-13/h3-9H,10H2,1-2H3,(H,21,22,23)

InChI Key

OMLRRCHYBULIOD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27594589

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.27

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.586

Distribution Coefficient, logD

3.205

Water Solubility, LogSw

-3.58

Polar Surface Area

73.380

Acid Dissociation Constant (pKa)

7.25

Base Dissociation Constant (pKb)

-3.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

D614-0097 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anticancer Library (62698 compounds)

New Agro Library (44492 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D614-0097 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D614-0097?
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What is the minimum amount of D614-0097 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D614-0097
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D614-0097
  • 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 D614-0097 available by request