V006-1845 Screening compound: 1-cyclopentanecarbonyl-N-(2-{N-[(3-methylphenyl)methyl]4-methoxybenzamido}cyclohexyl)pyrrolidine-2-carboxamide

V006-1845 Screening compound: 1-cyclopentanecarbonyl-N-(2-{N-[(3-methylphenyl)methyl]4-methoxybenzamido}cyclohexyl)pyrrolidine-2-carboxamide
V006-1845 Screening compound: 1-cyclopentanecarbonyl-N-(2-{N-[(3-methylphenyl)methyl]4-methoxybenzamido}cyclohexyl)pyrrolidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V006-1845
1-cyclopentanecarbonyl-N-(2-{N-[(3-methylphenyl)methyl]4-methoxybenzamido}cyclohexyl)pyrrolidine-2-carboxamide

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

V006-1845

Molecular Formula

C33H43N3O4 (C33 H43 N3 O4)

Compound Name

1-cyclopentanecarbonyl-N-(2-{N-[(3-methylphenyl)methyl]4-methoxybenzamido}cyclohexyl)pyrrolidine-2-carboxamide

IUPAC name

(2S)-1-cyclopentanecarbonyl-N-[(1R2R)-2-{N-[(3-methylphenyl)methyl]4-methoxybenzamido}cyclohexyl]pyrrolidine-2-carboxamide

SMILES

Cc1cccc(CN([C@@H](CCCC2)[C@H]2NC([C@@H](CCC2)N2C(C2CCCC2)=O)=O)C(c(cc2)ccc2OC)=O)c1

InChI

InChI=1S/C33H43N3O4/c1-23-9-7-10-24(21-23)22-36(33(39)26-16-18-27(40-2)19-17-26)29-14-6-5-13-28(29)34-31(37)30-15-8-20-35(30)32(38)25-11-3-4-12-25/h7,9-10,16-19,21,25,28-30H,3-6,8,11-15,20,22H2,1-2H3,(H,34,37)/t28-,29-,30+/m0/s1

InChI Key

XNDYWXCMVUDJJO-OIFRRMEBSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

545.72

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.018

Distribution Coefficient, logD

5.018

Water Solubility, LogSw

-4.67

Polar Surface Area

64.035

Acid Dissociation Constant (pKa)

14.93

Base Dissociation Constant (pKb)

-1.37

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

54.50

V006-1845 in Drug Discovery

Included in Screening Libraries

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

Regenerative Medicine Focused Library (23016 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • 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 V006-1845 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V006-1845?
Check Price and Availability of V006-1845, 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 V006-1845 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V006-1845
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V006-1845
  • 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 V006-1845 available by request