L493-0253 Screening compound: METHYL 3-[2-(4-FLUOROPHENYL)ACETAMIDO]-4-[4-(PROPAN-2-YL)PIPERAZIN-1-YL]BENZOATE

L493-0253 Screening compound: METHYL 3-[2-(4-FLUOROPHENYL)ACETAMIDO]-4-[4-(PROPAN-2-YL)PIPERAZIN-1-YL]BENZOATE
L493-0253 Screening compound: METHYL 3-[2-(4-FLUOROPHENYL)ACETAMIDO]-4-[4-(PROPAN-2-YL)PIPERAZIN-1-YL]BENZOATE alternative view

Chemical Structure Depiction of ChemDiv screening compound L493-0253
METHYL 3-[2-(4-FLUOROPHENYL)ACETAMIDO]-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

L493-0253

Molecular Formula

C23H28FN3O3 (C23 H28 FN3 O3)

Compound Name

METHYL 3-[2-(4-FLUOROPHENYL)ACETAMIDO]-4-[4-(PROPAN-2-YL)PIPERAZIN-1-YL]BENZOATE

IUPAC name

methyl 3-[2-(4-fluorophenyl)acetamido]-4-[4-(propan-2-yl)piperazin-1-yl]benzoate

SMILES

CC(C)N(CC1)CCN1c(ccc(C(OC)=O)c1)c1NC(Cc(cc1)ccc1F)=O

InChI

InChI=1S/C23H28FN3O3/c1-16(2)26-10-12-27(13-11-26)21-9-6-18(23(29)30-3)15-20(21)25-22(28)14-17-4-7-19(24)8-5-17/h4-9,15-16H,10-14H2,1-3H3,(H,25,28)

InChI Key

XVSHPUDGSSJUPF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27458025

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.741

Distribution Coefficient, logD

2.865

Water Solubility, LogSw

-4.14

Polar Surface Area

50.608

Acid Dissociation Constant (pKa)

8.67

Base Dissociation Constant (pKb)

8.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

L493-0253 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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 L493-0253 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L493-0253?
Check Price and Availability of L493-0253, 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 L493-0253 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L493-0253
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L493-0253
  • 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 L493-0253 available by request