Y070-2686 Screening compound: N~3~-(2-chlorobenzyl)-2-imino-1-octyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide

Y070-2686 Screening compound: N~3~-(2-chlorobenzyl)-2-imino-1-octyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide
Y070-2686 Screening compound: N~3~-(2-chlorobenzyl)-2-imino-1-octyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y070-2686
N~3~-(2-chlorobenzyl)-2-imino-1-octyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide

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

Y070-2686

Molecular Formula

C27H30ClN5O2 (C27 H30 ClN5 O2)

Compound Name

N~3~-(2-chlorobenzyl)-2-imino-1-octyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide

IUPAC name

N-[(2-chlorophenyl)methyl]-6-imino-7-octyl-2-oxo-179-triazatricyclo[8.4.0.0^{38}]tetradeca-3(8)491113-pentaene-5-carboxamide

SMILES

CCCCCCCCN(C(C(C(NCc(cccc1)c1Cl)=O)=C1)=N)C(N=C2N3C=CC=C2)=C1C3=O

InChI

InChI=1S/C27H30ClN5O2/c1-2-3-4-5-6-10-16-33-24(29)20(26(34)30-18-19-12-7-8-13-22(19)28)17-21-25(33)31-23-14-9-11-15-32(23)27(21)35/h7-9,11-15,17,29H,2-6,10,16,18H2,1H3,(H,30,34)

InChI Key

ZANINBDOIKKVDZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04158854

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.02

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.334

Distribution Coefficient, logD

5.276

Water Solubility, LogSw

-5.74

Polar Surface Area

68.932

Acid Dissociation Constant (pKa)

8.35

Base Dissociation Constant (pKb)

5.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

Y070-2686 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

PLpro Library (6343 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with Y070-2686 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y070-2686?
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What is the minimum amount of Y070-2686 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y070-2686
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y070-2686
  • 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 Y070-2686 available by request