L858-6105 Screening compound: N~1~-(4-chlorophenethyl)-2-[4-oxo-7-(2-thienyl)pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-3(4H)-yl]acetamide

L858-6105 Screening compound: N~1~-(4-chlorophenethyl)-2-[4-oxo-7-(2-thienyl)pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-3(4H)-yl]acetamide
L858-6105 Screening compound: N~1~-(4-chlorophenethyl)-2-[4-oxo-7-(2-thienyl)pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-3(4H)-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L858-6105
N~1~-(4-chlorophenethyl)-2-[4-oxo-7-(2-thienyl)pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-3(4H)-yl]acetamide

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

L858-6105

Molecular Formula

C23H17ClN4O2S2 (C23 H17 ClN4 O2 S2)

Compound Name

N~1~-(4-chlorophenethyl)-2-[4-oxo-7-(2-thienyl)pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-3(4H)-yl]acetamide

IUPAC name

N-[2-(4-chlorophenyl)ethyl]-2-[6-oxo-11-(thiophen-2-yl)-8-thia-3510-triazatricyclo[7.4.0.0^{27}]trideca-1(13)2(7)3911-pentaen-5-yl]acetamide

SMILES

O=C(CN(C=Nc1c2sc3c1ccc(-c1cccs1)n3)C2=O)NCCc(cc1)ccc1Cl

InChI

InChI=1S/C23H17ClN4O2S2/c24-15-5-3-14(4-6-15)9-10-25-19(29)12-28-13-26-20-16-7-8-17(18-2-1-11-31-18)27-22(16)32-21(20)23(28)30/h1-8,11,13H,9-10,12H2,(H,25,29)

InChI Key

CGKGQAVRRRFMMI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27481240

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.261

Distribution Coefficient, logD

4.261

Water Solubility, LogSw

-4.68

Polar Surface Area

58.867

Acid Dissociation Constant (pKa)

14.77

Base Dissociation Constant (pKb)

2.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

L858-6105 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 L858-6105 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L858-6105?
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What is the minimum amount of L858-6105 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L858-6105
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L858-6105
  • 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 L858-6105 available by request