L387-6020 Screening compound: 2-{[2-(diethylamino)-7-oxo-6-(prop-2-en-1-yl)-6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-(2,4,6-trimethylphenyl)acetamide

L387-6020 Screening compound: 2-{[2-(diethylamino)-7-oxo-6-(prop-2-en-1-yl)-6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-(2,4,6-trimethylphenyl)acetamide
L387-6020 Screening compound: 2-{[2-(diethylamino)-7-oxo-6-(prop-2-en-1-yl)-6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-(2,4,6-trimethylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L387-6020
2-{[2-(diethylamino)-7-oxo-6-(prop-2-en-1-yl)-6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-(2,4,6-trimethylphenyl)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

L387-6020

Molecular Formula

C23H29N5O2S2 (C23 H29 N5 O2 S2)

Compound Name

2-{[2-(diethylamino)-7-oxo-6-(prop-2-en-1-yl)-6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-(2,4,6-trimethylphenyl)acetamide

IUPAC name

2-{[2-(diethylamino)-7-oxo-6-(prop-2-en-1-yl)-6H7H-[13]thiazolo[45-d]pyrimidin-5-yl]sulfanyl}-N-(246-trimethylphenyl)acetamide

SMILES

CCN(CC)c1nc(N=C(N(CC=C)C2=O)SCC(Nc3c(C)cc(C)cc3C)=O)c2s1

InChI

InChI=1S/C23H29N5O2S2/c1-7-10-28-21(30)19-20(25-22(32-19)27(8-2)9-3)26-23(28)31-13-17(29)24-18-15(5)11-14(4)12-16(18)6/h7,11-12H,1,8-10,13H2,2-6H3,(H,24,29)

InChI Key

LNFAQTOMFAWVEW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27250120

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.65

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.627

Distribution Coefficient, logD

4.627

Water Solubility, LogSw

-4.31

Polar Surface Area

60.907

Acid Dissociation Constant (pKa)

12.42

Base Dissociation Constant (pKb)

1.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

L387-6020 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 L387-6020 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L387-6020?
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What is the minimum amount of L387-6020 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L387-6020
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L387-6020
  • 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 L387-6020 available by request