L387-4956 Screening compound: 2-{[6-ethyl-7-oxo-2-(pyrrolidin-1-yl)-6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-(3-methoxyphenyl)acetamide

L387-4956 Screening compound: 2-{[6-ethyl-7-oxo-2-(pyrrolidin-1-yl)-6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-(3-methoxyphenyl)acetamide
L387-4956 Screening compound: 2-{[6-ethyl-7-oxo-2-(pyrrolidin-1-yl)-6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-(3-methoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L387-4956
2-{[6-ethyl-7-oxo-2-(pyrrolidin-1-yl)-6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-(3-methoxyphenyl)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

L387-4956

Molecular Formula

C20H23N5O3S2 (C20 H23 N5 O3 S2)

Compound Name

2-{[6-ethyl-7-oxo-2-(pyrrolidin-1-yl)-6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-(3-methoxyphenyl)acetamide

IUPAC name

2-{[6-ethyl-7-oxo-2-(pyrrolidin-1-yl)-6H7H-[13]thiazolo[45-d]pyrimidin-5-yl]sulfanyl}-N-(3-methoxyphenyl)acetamide

SMILES

CCN(C1=O)C(SCC(Nc2cc(OC)ccc2)=O)=Nc2c1sc(N1CCCC1)n2

InChI

InChI=1S/C20H23N5O3S2/c1-3-25-18(27)16-17(22-19(30-16)24-9-4-5-10-24)23-20(25)29-12-15(26)21-13-7-6-8-14(11-13)28-2/h6-8,11H,3-5,9-10,12H2,1-2H3,(H,21,26)

InChI Key

FAYMPVKDZZXYAJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15125960

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.57

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.893

Distribution Coefficient, logD

3.893

Water Solubility, LogSw

-3.89

Polar Surface Area

70.675

Acid Dissociation Constant (pKa)

12.04

Base Dissociation Constant (pKb)

-0.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

References: we are preparing a list of scientific research reports with L387-4956 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L387-4956?
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What is the minimum amount of L387-4956 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L387-4956
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L387-4956
  • 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 L387-4956 available by request