V005-3587 Screening compound: 5-(3,4-difluorophenyl)-2-[1-(thiophene-2-carbonyl)pyrrolidin-2-yl]-1,3-benzoxazole

V005-3587 Screening compound: 5-(3,4-difluorophenyl)-2-[1-(thiophene-2-carbonyl)pyrrolidin-2-yl]-1,3-benzoxazole
V005-3587 Screening compound: 5-(3,4-difluorophenyl)-2-[1-(thiophene-2-carbonyl)pyrrolidin-2-yl]-1,3-benzoxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound V005-3587
5-(3,4-difluorophenyl)-2-[1-(thiophene-2-carbonyl)pyrrolidin-2-yl]-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

V005-3587

Molecular Formula

C22H16F2N2O2S (C22 H16 F2 N2 O2 S)

Compound Name

5-(3,4-difluorophenyl)-2-[1-(thiophene-2-carbonyl)pyrrolidin-2-yl]-1,3-benzoxazole

IUPAC name

5-(34-difluorophenyl)-2-[1-(thiophene-2-carbonyl)pyrrolidin-2-yl]-13-benzoxazole

SMILES

O=C(c1cccs1)N(CCC1)C1c1nc(cc(cc2)-c(cc3)cc(F)c3F)c2o1

InChI

InChI=1S/C22H16F2N2O2S/c23-15-7-5-13(11-16(15)24)14-6-8-19-17(12-14)25-21(28-19)18-3-1-9-26(18)22(27)20-4-2-10-29-20/h2,4-8,10-12,18H,1,3,9H2/t18-/m0/s1

InChI Key

OIKKFNZWJZGVTP-SFHVURJKSA-N

MDL Number (MFCD)

MFCD19969478

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.44

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.485

Distribution Coefficient, logD

5.485

Water Solubility, LogSw

-5.85

Polar Surface Area

34.504

Acid Dissociation Constant (pKa)

27.05

Base Dissociation Constant (pKb)

-3.33

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.20

V005-3587 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with V005-3587 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V005-3587?
Check Price and Availability of V005-3587, 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 V005-3587 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V005-3587
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V005-3587
  • 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 V005-3587 available by request