C561-1710 Screening compound: ethyl 4-(3-{5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}propanamido)piperidine-1-carboxylate

C561-1710 Screening compound: ethyl 4-(3-{5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}propanamido)piperidine-1-carboxylate
C561-1710 Screening compound: ethyl 4-(3-{5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}propanamido)piperidine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C561-1710
ethyl 4-(3-{5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}propanamido)piperidine-1-carboxylate

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

C561-1710

Molecular Formula

C18H26N6O3 (C18 H26 N6 O3)

Compound Name

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

IUPAC name

ethyl 4-(3-{57-dimethyl-[124]triazolo[15-a]pyrimidin-6-yl}propanamido)piperidine-1-carboxylate

SMILES

CCOC(N(CC1)CCC1NC(CCc1c(C)n2ncnc2nc1C)=O)=O

InChI

InChI=1S/C18H26N6O3/c1-4-27-18(26)23-9-7-14(8-10-23)22-16(25)6-5-15-12(2)21-17-19-11-20-24(17)13(15)3/h11,14H,4-10H2,1-3H3,(H,22,25)

InChI Key

VITDJGZEJCPFFH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10853670

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.798

Distribution Coefficient, logD

0.798

Water Solubility, LogSw

-1.62

Polar Surface Area

79.022

Acid Dissociation Constant (pKa)

16.00

Base Dissociation Constant (pKb)

4.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.10

C561-1710 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C561-1710 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C561-1710?
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What is the minimum amount of C561-1710 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C561-1710
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C561-1710
  • 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 C561-1710 available by request