V027-3648 Screening compound: 2-[1-(3,5-dimethoxybenzoyl)pyrrolidin-2-yl]-5-(3-methoxyphenyl)-1,3-benzoxazole

V027-3648 Screening compound: 2-[1-(3,5-dimethoxybenzoyl)pyrrolidin-2-yl]-5-(3-methoxyphenyl)-1,3-benzoxazole
V027-3648 Screening compound: 2-[1-(3,5-dimethoxybenzoyl)pyrrolidin-2-yl]-5-(3-methoxyphenyl)-1,3-benzoxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound V027-3648
2-[1-(3,5-dimethoxybenzoyl)pyrrolidin-2-yl]-5-(3-methoxyphenyl)-1,3-benzoxazole

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

V027-3648

Molecular Formula

C27H26N2O5 (C27 H26 N2 O5)

Compound Name

2-[1-(3,5-dimethoxybenzoyl)pyrrolidin-2-yl]-5-(3-methoxyphenyl)-1,3-benzoxazole

IUPAC name

2-[1-(35-dimethoxybenzoyl)pyrrolidin-2-yl]-5-(3-methoxyphenyl)-13-benzoxazole

SMILES

COc1cccc(-c(cc2)cc3c2oc(C(CCC2)N2C(c2cc(OC)cc(OC)c2)=O)n3)c1

InChI

InChI=1S/C27H26N2O5/c1-31-20-7-4-6-17(12-20)18-9-10-25-23(15-18)28-26(34-25)24-8-5-11-29(24)27(30)19-13-21(32-2)16-22(14-19)33-3/h4,6-7,9-10,12-16,24H,5,8,11H2,1-3H3/t24-/m0/s1

InChI Key

WGRRJRXULOCAIP-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD19969461

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

458.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.440

Distribution Coefficient, logD

5.440

Water Solubility, LogSw

-5.40

Polar Surface Area

56.117

Acid Dissociation Constant (pKa)

26.97

Base Dissociation Constant (pKb)

-3.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.90

V027-3648 in Drug Discovery

Included in Screening Libraries

Serine Proteases Inhibitors Library (32732 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Cancer
Targets:
  • Proteases
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with V027-3648 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V027-3648?
Check Price and Availability of V027-3648, 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 V027-3648 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V027-3648
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V027-3648
  • 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 V027-3648 available by request