5611-1881 Screening compound: 3-[(4-chlorophenyl)sulfonyl]-2-imino-8-methyl-1-(tetrahydro-2-furanylmethyl)-1,2-dihydro-5H-dipyrido[1,2-a:2,3-d]pyrimidin-5-one

5611-1881 Screening compound: 3-[(4-chlorophenyl)sulfonyl]-2-imino-8-methyl-1-(tetrahydro-2-furanylmethyl)-1,2-dihydro-5H-dipyrido[1,2-a:2,3-d]pyrimidin-5-one
5611-1881 Screening compound: 3-[(4-chlorophenyl)sulfonyl]-2-imino-8-methyl-1-(tetrahydro-2-furanylmethyl)-1,2-dihydro-5H-dipyrido[1,2-a:2,3-d]pyrimidin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5611-1881
3-[(4-chlorophenyl)sulfonyl]-2-imino-8-methyl-1-(tetrahydro-2-furanylmethyl)-1,2-dihydro-5H-dipyrido[1,2-a:2,3-d]pyrimidin-5-one

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

5611-1881

Molecular Formula

C23H21ClN4O4S (C23 H21 ClN4 O4 S)

Compound Name

3-[(4-chlorophenyl)sulfonyl]-2-imino-8-methyl-1-(tetrahydro-2-furanylmethyl)-1,2-dihydro-5H-dipyrido[1,2-a:2,3-d]pyrimidin-5-one

IUPAC name

5-(4-chlorobenzenesulfonyl)-6-imino-13-methyl-7-[(oxolan-2-yl)methyl]-179-triazatricyclo[8.4.0.0^{38}]tetradeca-3(8)491113-pentaen-2-one

SMILES

CC(C=CC1=NC(N(CC2OCCC2)C2=N)=C3C=C2S(c(cc2)ccc2Cl)(=O)=O)=CN1C3=O

InChI

InChI=1S/C23H21ClN4O4S/c1-14-4-9-20-26-22-18(23(29)27(20)12-14)11-19(21(25)28(22)13-16-3-2-10-32-16)33(30,31)17-7-5-15(24)6-8-17/h4-9,11-12,16,25H,2-3,10,13H2,1H3/t16-/m1/s1

InChI Key

JVPODEADZBCKQE-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD03669642

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.96

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.387

Distribution Coefficient, logD

2.347

Water Solubility, LogSw

-3.35

Polar Surface Area

82.943

Acid Dissociation Constant (pKa)

26.64

Base Dissociation Constant (pKb)

6.38

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.10

5611-1881 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5611-1881 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5611-1881?
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What is the minimum amount of 5611-1881 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5611-1881
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5611-1881
  • 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 5611-1881 available by request