SB96-0322 Screening compound: 3-{acetyl[2-(2-methyl-1H-imidazol-1-yl)ethyl]amino}-N-(3-chloro-2-fluorophenyl)-1-pyrrolidinecarboxamide

SB96-0322 Screening compound: 3-{acetyl[2-(2-methyl-1H-imidazol-1-yl)ethyl]amino}-N-(3-chloro-2-fluorophenyl)-1-pyrrolidinecarboxamide
SB96-0322 Screening compound: 3-{acetyl[2-(2-methyl-1H-imidazol-1-yl)ethyl]amino}-N-(3-chloro-2-fluorophenyl)-1-pyrrolidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB96-0322
3-{acetyl[2-(2-methyl-1H-imidazol-1-yl)ethyl]amino}-N-(3-chloro-2-fluorophenyl)-1-pyrrolidinecarboxamide

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

SB96-0322

Molecular Formula

C19H23ClFN5O2 (C19 H23 ClFN5 O2)

Compound Name

3-{acetyl[2-(2-methyl-1H-imidazol-1-yl)ethyl]amino}-N-(3-chloro-2-fluorophenyl)-1-pyrrolidinecarboxamide

IUPAC name

N-(3-chloro-2-fluorophenyl)-3-{N-[2-(2-methyl-1H-imidazol-1-yl)ethyl]acetamido}pyrrolidine-1-carboxamide

SMILES

CC(N(CCn1c(C)ncc1)C(CC1)CN1C(Nc1cccc(Cl)c1F)=O)=O

InChI

InChI=1S/C19H23ClFN5O2/c1-13-22-7-9-24(13)10-11-26(14(2)27)15-6-8-25(12-15)19(28)23-17-5-3-4-16(20)18(17)21/h3-5,7,9,15H,6,8,10-12H2,1-2H3,(H,23,28)/t15-/m1/s1

InChI Key

CUWUXXDAQRJVKJ-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD32252021

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.88

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.904

Distribution Coefficient, logD

0.995

Water Solubility, LogSw

-2.59

Polar Surface Area

53.556

Acid Dissociation Constant (pKa)

10.26

Base Dissociation Constant (pKb)

8.25

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.10

SB96-0322 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 SB96-0322 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB96-0322?
Check Price and Availability of SB96-0322, 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 SB96-0322 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB96-0322
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB96-0322
  • 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 SB96-0322 available by request