V018-1091 Screening compound: N-(3-{[1-(3-bromobenzoyl)pyrrolidin-2-yl]formamido}propyl)-4-fluorobenzamide

V018-1091 Screening compound: N-(3-{[1-(3-bromobenzoyl)pyrrolidin-2-yl]formamido}propyl)-4-fluorobenzamide
V018-1091 Screening compound: N-(3-{[1-(3-bromobenzoyl)pyrrolidin-2-yl]formamido}propyl)-4-fluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V018-1091
N-(3-{[1-(3-bromobenzoyl)pyrrolidin-2-yl]formamido}propyl)-4-fluorobenzamide

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

V018-1091

Molecular Formula

C22H23BrFN3O3 (C22 H23 BrFN3 O3)

Compound Name

N-(3-{[1-(3-bromobenzoyl)pyrrolidin-2-yl]formamido}propyl)-4-fluorobenzamide

IUPAC name

N-(3-{[(2S)-1-(3-bromobenzoyl)pyrrolidin-2-yl]formamido}propyl)-4-fluorobenzamide

SMILES

O=C(C(CCC1)N1C(c1cccc(Br)c1)=O)NCCCNC(c(cc1)ccc1F)=O

InChI

InChI=1S/C22H23BrFN3O3/c23-17-5-1-4-16(14-17)22(30)27-13-2-6-19(27)21(29)26-12-3-11-25-20(28)15-7-9-18(24)10-8-15/h1,4-5,7-10,14,19H,2-3,6,11-13H2,(H,25,28)(H,26,29)/t19-/m0/s1

InChI Key

RKAWTHJQTROFDK-IBGZPJMESA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.35

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.422

Distribution Coefficient, logD

2.422

Water Solubility, LogSw

-2.85

Polar Surface Area

65.728

Acid Dissociation Constant (pKa)

13.27

Base Dissociation Constant (pKb)

-0.05

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.80

V018-1091 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with V018-1091 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V018-1091?
Check Price and Availability of V018-1091, 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 V018-1091 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V018-1091
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V018-1091
  • 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 V018-1091 available by request