C561-1748 Screening compound: ETHYL 3-(3-{5,7-DIMETHYL-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-6-YL}PROPANAMIDO)-3-(4-ETHOXY-3-METHOXYPHENYL)PROPANOATE

C561-1748 Screening compound: ETHYL 3-(3-{5,7-DIMETHYL-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-6-YL}PROPANAMIDO)-3-(4-ETHOXY-3-METHOXYPHENYL)PROPANOATE
C561-1748 Screening compound: ETHYL 3-(3-{5,7-DIMETHYL-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-6-YL}PROPANAMIDO)-3-(4-ETHOXY-3-METHOXYPHENYL)PROPANOATE alternative view

Chemical Structure Depiction of ChemDiv screening compound C561-1748
ETHYL 3-(3-{5,7-DIMETHYL-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-6-YL}PROPANAMIDO)-3-(4-ETHOXY-3-METHOXYPHENYL)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

C561-1748

Molecular Formula

C24H31N5O5 (C24 H31 N5 O5)

Compound Name

ETHYL 3-(3-{5,7-DIMETHYL-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-6-YL}PROPANAMIDO)-3-(4-ETHOXY-3-METHOXYPHENYL)PROPANOATE

IUPAC name

n/a

SMILES

CCOC(CC(c(cc1)cc(OC)c1OCC)NC(CCc1c(C)n2ncnc2nc1C)=O)=O

InChI

InChI=1S/C24H31N5O5/c1-6-33-20-10-8-17(12-21(20)32-5)19(13-23(31)34-7-2)28-22(30)11-9-18-15(3)27-24-25-14-26-29(24)16(18)4/h8,10,12,14,19H,6-7,9,11,13H2,1-5H3,(H,28,30)/t19-/m0/s1

InChI Key

JQMHXKZBDHWPRN-IBGZPJMESA-N

MDL Number (MFCD)

MFCD14771116

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.54

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.985

Distribution Coefficient, logD

1.985

Water Solubility, LogSw

-2.69

Polar Surface Area

91.147

Acid Dissociation Constant (pKa)

14.29

Base Dissociation Constant (pKb)

4.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.80

C561-1748 in Drug Discovery

Included in Screening Libraries

Integrin Receptors Targeted library (1715 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 C561-1748 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C561-1748?
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What is the minimum amount of C561-1748 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C561-1748
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C561-1748
  • 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 C561-1748 available by request