3541-1300 Screening compound: (5Z)-5-({2-[benzyl(methyl)amino]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}methylidene)-3-(1-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one

3541-1300 Screening compound: (5Z)-5-({2-[benzyl(methyl)amino]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}methylidene)-3-(1-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
3541-1300 Screening compound: (5Z)-5-({2-[benzyl(methyl)amino]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}methylidene)-3-(1-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3541-1300
(5Z)-5-({2-[benzyl(methyl)amino]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}methylidene)-3-(1-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-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

3541-1300

Molecular Formula

C29H26N4O2S2 (C29 H26 N4 O2 S2)

Compound Name

(5Z)-5-({2-[benzyl(methyl)amino]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}methylidene)-3-(1-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one

IUPAC name

(5Z)-5-({2-[benzyl(methyl)amino]-9-methyl-4-oxo-4H-pyrido[12-a]pyrimidin-3-yl}methylidene)-3-(1-phenylethyl)-2-sulfanylidene-13-thiazolidin-4-one

SMILES

CC(c1ccccc1)N(C(/C(/S1)=C/C2=C(N(C)Cc3ccccc3)N=C(C(C)=CC=C3)N3C2=O)=O)C1=S

InChI

InChI=1S/C29H26N4O2S2/c1-19-11-10-16-32-25(19)30-26(31(3)18-21-12-6-4-7-13-21)23(27(32)34)17-24-28(35)33(29(36)37-24)20(2)22-14-8-5-9-15-22/h4-17,20H,18H2,1-3H3/t20-/m0/s1

InChI Key

VWHQYRDYYQDORV-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD01957946

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

526.68

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.184

Distribution Coefficient, logD

5.184

Water Solubility, LogSw

-5.04

Polar Surface Area

43.100

Acid Dissociation Constant (pKa)

27.81

Base Dissociation Constant (pKb)

2.11

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.20

3541-1300 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3541-1300 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3541-1300?
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What is the minimum amount of 3541-1300 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3541-1300
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3541-1300
  • 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 3541-1300 available by request