V022-5987 Screening compound: 4-fluoro-N-(propan-2-yl)-N-({1-[(1H-pyrrol-2-yl)methyl]-4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl}methyl)benzamide

V022-5987 Screening compound: 4-fluoro-N-(propan-2-yl)-N-({1-[(1H-pyrrol-2-yl)methyl]-4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl}methyl)benzamide
V022-5987 Screening compound: 4-fluoro-N-(propan-2-yl)-N-({1-[(1H-pyrrol-2-yl)methyl]-4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl}methyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V022-5987
4-fluoro-N-(propan-2-yl)-N-({1-[(1H-pyrrol-2-yl)methyl]-4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl}methyl)benzamide

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

V022-5987

Molecular Formula

C27H29F4N3O (C27 H29 F4 N3 O)

Compound Name

4-fluoro-N-(propan-2-yl)-N-({1-[(1H-pyrrol-2-yl)methyl]-4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl}methyl)benzamide

IUPAC name

4-fluoro-N-(propan-2-yl)-N-({1-[(1H-pyrrol-2-yl)methyl]-4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl}methyl)benzamide

SMILES

CC(C)N(CC(CN(Cc1ccc[nH]1)C1)C1c1cc(C(F)(F)F)ccc1)C(c(cc1)ccc1F)=O

InChI

InChI=1S/C27H29F4N3O/c1-18(2)34(26(35)19-8-10-23(28)11-9-19)15-21-14-33(16-24-7-4-12-32-24)17-25(21)20-5-3-6-22(13-20)27(29,30)31/h3-13,18,21,25,32H,14-17H2,1-2H3

InChI Key

HZJOIVXYOQBGFO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19922481

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

487.54

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.527

Distribution Coefficient, logD

3.016

Water Solubility, LogSw

-5.42

Polar Surface Area

30.449

Acid Dissociation Constant (pKa)

18.22

Base Dissociation Constant (pKb)

9.91

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

37.00

V022-5987 in Drug Discovery

Included in Screening Libraries

Macl-GPIb alpha Interaction Library (22969 compounds)

Inhibitors of beta-Catenin Signaling (7445 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular

References: we are preparing a list of scientific research reports with V022-5987 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V022-5987?
Check Price and Availability of V022-5987, 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 V022-5987 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V022-5987
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V022-5987
  • 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 V022-5987 available by request