L493-0248 Screening compound: methyl 3-(2,6-difluorobenzamido)-4-[4-(propan-2-yl)piperazin-1-yl]benzoate

L493-0248 Screening compound: methyl 3-(2,6-difluorobenzamido)-4-[4-(propan-2-yl)piperazin-1-yl]benzoate
L493-0248 Screening compound: methyl 3-(2,6-difluorobenzamido)-4-[4-(propan-2-yl)piperazin-1-yl]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound L493-0248
methyl 3-(2,6-difluorobenzamido)-4-[4-(propan-2-yl)piperazin-1-yl]benzoate

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

L493-0248

Molecular Formula

C22H25F2N3O3 (C22 H25 F2 N3 O3)

Compound Name

methyl 3-(2,6-difluorobenzamido)-4-[4-(propan-2-yl)piperazin-1-yl]benzoate

IUPAC name

methyl 3-(26-difluorobenzamido)-4-[4-(propan-2-yl)piperazin-1-yl]benzoate

SMILES

CC(C)N(CC1)CCN1c(ccc(C(OC)=O)c1)c1NC(c(c(F)ccc1)c1F)=O

InChI

InChI=1S/C22H25F2N3O3/c1-14(2)26-9-11-27(12-10-26)19-8-7-15(22(29)30-3)13-18(19)25-21(28)20-16(23)5-4-6-17(20)24/h4-8,13-14H,9-12H2,1-3H3,(H,25,28)

InChI Key

RPVAPWWSMIHZFF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27458023

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.315

Distribution Coefficient, logD

4.315

Water Solubility, LogSw

-4.45

Polar Surface Area

50.821

Acid Dissociation Constant (pKa)

5.90

Base Dissociation Constant (pKb)

8.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

L493-0248 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with L493-0248 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L493-0248?
Check Price and Availability of L493-0248, 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 L493-0248 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L493-0248
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L493-0248
  • 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 L493-0248 available by request