L387-1413 Screening compound: 2-{[2-(diethylamino)-7-oxo-6-(propan-2-yl)-6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-(2,4-difluorophenyl)acetamide

L387-1413 Screening compound: 2-{[2-(diethylamino)-7-oxo-6-(propan-2-yl)-6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-(2,4-difluorophenyl)acetamide
L387-1413 Screening compound: 2-{[2-(diethylamino)-7-oxo-6-(propan-2-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 L387-1413
2-{[2-(diethylamino)-7-oxo-6-(propan-2-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

L387-1413

Molecular Formula

C20H23F2N5O2S2 (C20 H23 F2 N5 O2 S2)

Compound Name

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

SMILES

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

InChI

InChI=1S/C20H23F2N5O2S2/c1-5-26(6-2)19-24-17-16(31-19)18(29)27(11(3)4)20(25-17)30-10-15(28)23-14-8-7-12(21)9-13(14)22/h7-9,11H,5-6,10H2,1-4H3,(H,23,28)

InChI Key

IOUBRYBTWKROSO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27249679

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.233

Distribution Coefficient, logD

4.228

Water Solubility, LogSw

-4.13

Polar Surface Area

61.347

Acid Dissociation Constant (pKa)

9.34

Base Dissociation Constant (pKb)

-0.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

L387-1413 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 L387-1413 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L387-1413?
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What is the minimum amount of L387-1413 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L387-1413
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L387-1413
  • 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 L387-1413 available by request