D298-0606 Screening compound: ethyl 3-[5-methyl-7-oxo-2-({[4-(propan-2-yloxy)phenyl]methyl}amino)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanoate

D298-0606 Screening compound: ethyl 3-[5-methyl-7-oxo-2-({[4-(propan-2-yloxy)phenyl]methyl}amino)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanoate
D298-0606 Screening compound: ethyl 3-[5-methyl-7-oxo-2-({[4-(propan-2-yloxy)phenyl]methyl}amino)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D298-0606
ethyl 3-[5-methyl-7-oxo-2-({[4-(propan-2-yloxy)phenyl]methyl}amino)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanoate

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

D298-0606

Molecular Formula

C21H27N5O4 (C21 H27 N5 O4)

Compound Name

ethyl 3-[5-methyl-7-oxo-2-({[4-(propan-2-yloxy)phenyl]methyl}amino)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanoate

IUPAC name

ethyl 3-[5-methyl-7-oxo-2-({[4-(propan-2-yloxy)phenyl]methyl}amino)-4H7H-[124]triazolo[15-a]pyrimidin-6-yl]propanoate

SMILES

CCOC(CCC1=C(C)Nc2nc(NCc(cc3)ccc3OC(C)C)nn2C1=O)=O

InChI

InChI=1S/C21H27N5O4/c1-5-29-18(27)11-10-17-14(4)23-21-24-20(25-26(21)19(17)28)22-12-15-6-8-16(9-7-15)30-13(2)3/h6-9,13H,5,10-12H2,1-4H3,(H2,22,23,24,25)

InChI Key

PTEPGOYLOXTBOG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14817332

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.909

Distribution Coefficient, logD

2.866

Water Solubility, LogSw

-3.26

Polar Surface Area

88.853

Acid Dissociation Constant (pKa)

8.38

Base Dissociation Constant (pKb)

-2.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

D298-0606 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Integrin Receptors Targeted library (1715 compounds)

RNA-Protein Interaction Inhibitors Library (1986 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with D298-0606 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D298-0606?
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What is the minimum amount of D298-0606 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D298-0606
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D298-0606
  • 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 D298-0606 available by request