D245-0062 Screening compound: methyl 2-({5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}amino)propanoate

D245-0062 Screening compound: methyl 2-({5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}amino)propanoate
D245-0062 Screening compound: methyl 2-({5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}amino)propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D245-0062
methyl 2-({5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}amino)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

D245-0062

Molecular Formula

C16H17N5O2 (C16 H17 N5 O2)

Compound Name

methyl 2-({5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}amino)propanoate

IUPAC name

methyl 2-({5-methyl-2-phenyl-[124]triazolo[15-a]pyrimidin-7-yl}amino)propanoate

SMILES

CC(C(OC)=O)Nc1cc(C)nc2nc(-c3ccccc3)nn12

InChI

InChI=1S/C16H17N5O2/c1-10-9-13(18-11(2)15(22)23-3)21-16(17-10)19-14(20-21)12-7-5-4-6-8-12/h4-9,11,18H,1-3H3/t11-/m0/s1

InChI Key

XTEQGDYBZAZOJU-NSHDSACASA-N

MDL Number (MFCD)

MFCD14815097

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

311.34

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

2.437

Distribution Coefficient, logD

2.426

Water Solubility, LogSw

-2.84

Polar Surface Area

61.771

Acid Dissociation Constant (pKa)

14.62

Base Dissociation Constant (pKb)

5.81

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

D245-0062 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Anti-Aging Library (44940 compounds)

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Immune system
Mechanism of action:
  • Epigenetic
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D245-0062 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D245-0062?
Check Price and Availability of D245-0062, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D245-0062 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D245-0062
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D245-0062
  • 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 D245-0062 available by request