Y070-3183 Screening compound: 3-[(4-bromophenyl)sulfonyl]-2-imino-1-(2-methoxyethyl)-1,2-dihydro-5H-dipyrido[1,2-a:2,3-d]pyrimidin-5-one

Y070-3183 Screening compound: 3-[(4-bromophenyl)sulfonyl]-2-imino-1-(2-methoxyethyl)-1,2-dihydro-5H-dipyrido[1,2-a:2,3-d]pyrimidin-5-one
Y070-3183 Screening compound: 3-[(4-bromophenyl)sulfonyl]-2-imino-1-(2-methoxyethyl)-1,2-dihydro-5H-dipyrido[1,2-a:2,3-d]pyrimidin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y070-3183
3-[(4-bromophenyl)sulfonyl]-2-imino-1-(2-methoxyethyl)-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

Y070-3183

Molecular Formula

C20H17BrN4O4S (C20 H17 BrN4 O4 S)

Compound Name

3-[(4-bromophenyl)sulfonyl]-2-imino-1-(2-methoxyethyl)-1,2-dihydro-5H-dipyrido[1,2-a:2,3-d]pyrimidin-5-one

IUPAC name

5-(4-bromobenzenesulfonyl)-6-imino-7-(2-methoxyethyl)-179-triazatricyclo[8.4.0.0^{38}]tetradeca-3(8)491113-pentaen-2-one

SMILES

COCCN(C(C(S(c(cc1)ccc1Br)(=O)=O)=C1)=N)C(N=C2N3C=CC=C2)=C1C3=O

InChI

InChI=1S/C20H17BrN4O4S/c1-29-11-10-25-18(22)16(30(27,28)14-7-5-13(21)6-8-14)12-15-19(25)23-17-4-2-3-9-24(17)20(15)26/h2-9,12,22H,10-11H2,1H3

InChI Key

XIVOGMYHBGHIFD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04196525

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.35

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.098

Distribution Coefficient, logD

1.940

Water Solubility, LogSw

-2.76

Polar Surface Area

82.362

Acid Dissociation Constant (pKa)

29.39

Base Dissociation Constant (pKb)

7.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

Y070-3183 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y070-3183 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y070-3183?
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What is the minimum amount of Y070-3183 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y070-3183
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y070-3183
  • 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 Y070-3183 available by request