L387-4941 Screening compound: N-(3-acetylphenyl)-2-{[6-ethyl-7-oxo-2-(pyrrolidin-1-yl)-6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide

L387-4941 Screening compound: N-(3-acetylphenyl)-2-{[6-ethyl-7-oxo-2-(pyrrolidin-1-yl)-6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide
L387-4941 Screening compound: N-(3-acetylphenyl)-2-{[6-ethyl-7-oxo-2-(pyrrolidin-1-yl)-6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L387-4941
N-(3-acetylphenyl)-2-{[6-ethyl-7-oxo-2-(pyrrolidin-1-yl)-6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}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

L387-4941

Molecular Formula

C21H23N5O3S2 (C21 H23 N5 O3 S2)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C21H23N5O3S2/c1-3-26-19(29)17-18(23-20(31-17)25-9-4-5-10-25)24-21(26)30-12-16(28)22-15-8-6-7-14(11-15)13(2)27/h6-8,11H,3-5,9-10,12H2,1-2H3,(H,22,28)

InChI Key

YONXTMQYQCLNFL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27249987

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.58

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.567

Distribution Coefficient, logD

3.567

Water Solubility, LogSw

-3.66

Polar Surface Area

76.958

Acid Dissociation Constant (pKa)

11.30

Base Dissociation Constant (pKb)

-0.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

References: we are preparing a list of scientific research reports with L387-4941 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L387-4941?
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What is the minimum amount of L387-4941 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L387-4941
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L387-4941
  • 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 L387-4941 available by request