M665-0952 Screening compound: N~4~-allyl-N~1~-(4-{[(3-fluoroanilino)carbonyl]amino}phenyl)tetrahydro-1,4(2H)-pyridinedicarboxamide

M665-0952 Screening compound: N~4~-allyl-N~1~-(4-{[(3-fluoroanilino)carbonyl]amino}phenyl)tetrahydro-1,4(2H)-pyridinedicarboxamide
M665-0952 Screening compound: N~4~-allyl-N~1~-(4-{[(3-fluoroanilino)carbonyl]amino}phenyl)tetrahydro-1,4(2H)-pyridinedicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M665-0952
N~4~-allyl-N~1~-(4-{[(3-fluoroanilino)carbonyl]amino}phenyl)tetrahydro-1,4(2H)-pyridinedicarboxamide

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

M665-0952

Molecular Formula

C23H26FN5O3 (C23 H26 FN5 O3)

Compound Name

N~4~-allyl-N~1~-(4-{[(3-fluoroanilino)carbonyl]amino}phenyl)tetrahydro-1,4(2H)-pyridinedicarboxamide

IUPAC name

n/a

SMILES

C=CCNC(C(CC1)CCN1C(Nc(cc1)ccc1NC(Nc1cccc(F)c1)=O)=O)=O

InChI

InChI=1S/C23H26FN5O3/c1-2-12-25-21(30)16-10-13-29(14-11-16)23(32)28-19-8-6-18(7-9-19)26-22(31)27-20-5-3-4-17(24)15-20/h2-9,15-16H,1,10-14H2,(H,25,30)(H,28,32)(H2,26,27,31)

InChI Key

UBOAODGWQBYOLP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27550208

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.256

Distribution Coefficient, logD

3.256

Water Solubility, LogSw

-3.37

Polar Surface Area

82.537

Acid Dissociation Constant (pKa)

11.75

Base Dissociation Constant (pKb)

-0.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

M665-0952 in Drug Discovery

Included in Screening Libraries

Macl-GPIb alpha Interaction Library (22969 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular

References: we are preparing a list of scientific research reports with M665-0952 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M665-0952?
Check Price and Availability of M665-0952, 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 M665-0952 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M665-0952
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M665-0952
  • 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 M665-0952 available by request