L387-5976 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-difluorophenyl)acetamide

L387-5976 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-difluorophenyl)acetamide
L387-5976 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-difluorophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L387-5976
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-difluorophenyl)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

L387-5976

Molecular Formula

C20H21F2N5O2S2 (C20 H21 F2 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-difluorophenyl)acetamide

IUPAC name

2-{[2-(diethylamino)-7-oxo-6-(prop-2-en-1-yl)-6H7H-[13]thiazolo[45-d]pyrimidin-5-yl]sulfanyl}-N-(24-difluorophenyl)acetamide

SMILES

CCN(CC)c1nc(N=C(N(CC=C)C2=O)SCC(Nc(ccc(F)c3)c3F)=O)c2s1

InChI

InChI=1S/C20H21F2N5O2S2/c1-4-9-27-18(29)16-17(24-19(31-16)26(5-2)6-3)25-20(27)30-11-15(28)23-14-8-7-12(21)10-13(14)22/h4,7-8,10H,1,5-6,9,11H2,2-3H3,(H,23,28)

InChI Key

VGHGFGSUONDMFH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27250091

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.55

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

4.029

Distribution Coefficient, logD

4.024

Water Solubility, LogSw

-3.94

Polar Surface Area

61.605

Acid Dissociation Constant (pKa)

9.34

Base Dissociation Constant (pKb)

1.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

L387-5976 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with L387-5976 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L387-5976?
Check Price and Availability of L387-5976, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of L387-5976 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L387-5976
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L387-5976
  • 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 L387-5976 available by request