L613-0028 Screening compound: N~2~-isopropyl-1-{4-[(2-methylbenzoyl)amino]benzoyl}-2-pyrrolidinecarboxamide

L613-0028 Screening compound: N~2~-isopropyl-1-{4-[(2-methylbenzoyl)amino]benzoyl}-2-pyrrolidinecarboxamide
L613-0028 Screening compound: N~2~-isopropyl-1-{4-[(2-methylbenzoyl)amino]benzoyl}-2-pyrrolidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L613-0028
N~2~-isopropyl-1-{4-[(2-methylbenzoyl)amino]benzoyl}-2-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

L613-0028

Molecular Formula

C23H27N3O3 (C23 H27 N3 O3)

Compound Name

N~2~-isopropyl-1-{4-[(2-methylbenzoyl)amino]benzoyl}-2-pyrrolidinecarboxamide

IUPAC name

1-[4-(2-methylbenzamido)benzoyl]-N-(propan-2-yl)pyrrolidine-2-carboxamide

SMILES

CC(C)NC(C(CCC1)N1C(c(cc1)ccc1NC(c1c(C)cccc1)=O)=O)=O

InChI

InChI=1S/C23H27N3O3/c1-15(2)24-22(28)20-9-6-14-26(20)23(29)17-10-12-18(13-11-17)25-21(27)19-8-5-4-7-16(19)3/h4-5,7-8,10-13,15,20H,6,9,14H2,1-3H3,(H,24,28)(H,25,27)/t20-/m0/s1

InChI Key

BCHIFQLADKVQNN-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD15132350

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.716

Distribution Coefficient, logD

2.681

Water Solubility, LogSw

-3.35

Polar Surface Area

63.697

Acid Dissociation Constant (pKa)

8.48

Base Dissociation Constant (pKb)

3.35

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.78

L613-0028 in Drug Discovery

Included in Screening Libraries

Serine Proteases Inhibitors Library (32732 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with L613-0028 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L613-0028?
Check Price and Availability of L613-0028, 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 L613-0028 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L613-0028
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L613-0028
  • 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 L613-0028 available by request