C561-1866 Screening compound: ethyl 4-(3-{2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}propanamido)benzoate

C561-1866 Screening compound: ethyl 4-(3-{2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}propanamido)benzoate
C561-1866 Screening compound: ethyl 4-(3-{2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}propanamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C561-1866
ethyl 4-(3-{2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}propanamido)benzoate

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

C561-1866

Molecular Formula

C20H23N5O3 (C20 H23 N5 O3)

Compound Name

ethyl 4-(3-{2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}propanamido)benzoate

IUPAC name

ethyl 4-(3-{257-trimethyl-[124]triazolo[15-a]pyrimidin-6-yl}propanamido)benzoate

SMILES

CCOC(c(cc1)ccc1NC(CCc1c(C)n2nc(C)nc2nc1C)=O)=O

InChI

InChI=1S/C20H23N5O3/c1-5-28-19(27)15-6-8-16(9-7-15)23-18(26)11-10-17-12(2)21-20-22-14(4)24-25(20)13(17)3/h6-9H,5,10-11H2,1-4H3,(H,23,26)

InChI Key

SPBSCGCYBCFRLG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14771207

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.434

Distribution Coefficient, logD

2.433

Water Solubility, LogSw

-2.78

Polar Surface Area

74.620

Acid Dissociation Constant (pKa)

10.69

Base Dissociation Constant (pKb)

4.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

C561-1866 in Drug Discovery

Included in Screening Libraries

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C561-1866 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C561-1866?
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What is the minimum amount of C561-1866 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C561-1866
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C561-1866
  • 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 C561-1866 available by request