L387-6939 Screening compound: N-(3,4-difluorophenyl)-2-{[7-oxo-6-(prop-2-en-1-yl)-2-(pyrrolidin-1-yl)-6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide

L387-6939 Screening compound: N-(3,4-difluorophenyl)-2-{[7-oxo-6-(prop-2-en-1-yl)-2-(pyrrolidin-1-yl)-6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide
L387-6939 Screening compound: N-(3,4-difluorophenyl)-2-{[7-oxo-6-(prop-2-en-1-yl)-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 L387-6939
N-(3,4-difluorophenyl)-2-{[7-oxo-6-(prop-2-en-1-yl)-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

L387-6939

Molecular Formula

C20H19F2N5O2S2 (C20 H19 F2 N5 O2 S2)

Compound Name

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

IUPAC name

N-(34-difluorophenyl)-2-{[7-oxo-6-(prop-2-en-1-yl)-2-(pyrrolidin-1-yl)-6H7H-[13]thiazolo[45-d]pyrimidin-5-yl]sulfanyl}acetamide

SMILES

C=CCN(C1=O)C(SCC(Nc(cc2)cc(F)c2F)=O)=Nc2c1sc(N1CCCC1)n2

InChI

InChI=1S/C20H19F2N5O2S2/c1-2-7-27-18(29)16-17(24-19(31-16)26-8-3-4-9-26)25-20(27)30-11-15(28)23-12-5-6-13(21)14(22)10-12/h2,5-6,10H,1,3-4,7-9,11H2,(H,23,28)

InChI Key

XCLODTFTFNKCPU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15125966

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.369

Distribution Coefficient, logD

4.364

Water Solubility, LogSw

-4.25

Polar Surface Area

63.385

Acid Dissociation Constant (pKa)

9.34

Base Dissociation Constant (pKb)

-0.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

References: we are preparing a list of scientific research reports with L387-6939 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L387-6939?
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What is the minimum amount of L387-6939 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L387-6939
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L387-6939
  • 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 L387-6939 available by request