L391-0040 Screening compound: N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-oxo-7-(pyrrolidin-1-yl)-3H,4H-pyrimido[4,5-d][1,3]diazin-3-yl]acetamide

L391-0040 Screening compound: N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-oxo-7-(pyrrolidin-1-yl)-3H,4H-pyrimido[4,5-d][1,3]diazin-3-yl]acetamide
L391-0040 Screening compound: N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-oxo-7-(pyrrolidin-1-yl)-3H,4H-pyrimido[4,5-d][1,3]diazin-3-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L391-0040
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-oxo-7-(pyrrolidin-1-yl)-3H,4H-pyrimido[4,5-d][1,3]diazin-3-yl]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

L391-0040

Molecular Formula

C19H16ClF3N6O2 (C19 H16 ClF3 N6 O2)

Compound Name

N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-oxo-7-(pyrrolidin-1-yl)-3H,4H-pyrimido[4,5-d][1,3]diazin-3-yl]acetamide

IUPAC name

N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-oxo-7-(pyrrolidin-1-yl)-3H4H-pyrimido[45-d][13]diazin-3-yl]acetamide

SMILES

O=C(CN(C=Nc1c2cnc(N3CCCC3)n1)C2=O)Nc(cc1)c(C(F)(F)F)cc1Cl

InChI

InChI=1S/C19H16ClF3N6O2/c20-11-3-4-14(13(7-11)19(21,22)23)26-15(30)9-29-10-25-16-12(17(29)31)8-24-18(27-16)28-5-1-2-6-28/h3-4,7-8,10H,1-2,5-6,9H2,(H,26,30)

InChI Key

LPBDJSLTPNQQHE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27250631

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.82

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.924

Distribution Coefficient, logD

2.923

Water Solubility, LogSw

-3.60

Polar Surface Area

71.205

Acid Dissociation Constant (pKa)

10.90

Base Dissociation Constant (pKb)

0.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

L391-0040 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular

References: we are preparing a list of scientific research reports with L391-0040 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L391-0040?
Check Price and Availability of L391-0040, 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 L391-0040 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L391-0040
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L391-0040
  • 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 L391-0040 available by request