L387-6039 Screening compound: N-cyclohexyl-2-{[2-(diethylamino)-7-oxo-6-(prop-2-en-1-yl)-6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide

L387-6039 Screening compound: N-cyclohexyl-2-{[2-(diethylamino)-7-oxo-6-(prop-2-en-1-yl)-6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide
L387-6039 Screening compound: N-cyclohexyl-2-{[2-(diethylamino)-7-oxo-6-(prop-2-en-1-yl)-6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L387-6039
N-cyclohexyl-2-{[2-(diethylamino)-7-oxo-6-(prop-2-en-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

L387-6039

Molecular Formula

C20H29N5O2S2 (C20 H29 N5 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

CCN(CC)c1nc(N=C(N(CC=C)C2=O)SCC(NC3CCCCC3)=O)c2s1

InChI

InChI=1S/C20H29N5O2S2/c1-4-12-25-18(27)16-17(22-19(29-16)24(5-2)6-3)23-20(25)28-13-15(26)21-14-10-8-7-9-11-14/h4,14H,1,5-13H2,2-3H3,(H,21,26)

InChI Key

QROFTHJODUGPDZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27250128

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.61

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

4.009

Distribution Coefficient, logD

4.009

Water Solubility, LogSw

-3.88

Polar Surface Area

63.350

Acid Dissociation Constant (pKa)

15.98

Base Dissociation Constant (pKb)

1.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

60.00

L387-6039 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with L387-6039 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L387-6039?
Check Price and Availability of L387-6039, 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 L387-6039 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L387-6039
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L387-6039
  • 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 L387-6039 available by request