V006-1108 Screening compound: N-(2-{[1-(3-chloropropanoyl)pyrrolidin-2-yl]formamido}ethyl)-4-fluorobenzamide

V006-1108 Screening compound: N-(2-{[1-(3-chloropropanoyl)pyrrolidin-2-yl]formamido}ethyl)-4-fluorobenzamide
V006-1108 Screening compound: N-(2-{[1-(3-chloropropanoyl)pyrrolidin-2-yl]formamido}ethyl)-4-fluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V006-1108
N-(2-{[1-(3-chloropropanoyl)pyrrolidin-2-yl]formamido}ethyl)-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

V006-1108

Molecular Formula

C17H21ClFN3O3 (C17 H21 ClFN3 O3)

Compound Name

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

IUPAC name

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

SMILES

O=C(CCCl)N(CCC1)C1C(NCCNC(c(cc1)ccc1F)=O)=O

InChI

InChI=1S/C17H21ClFN3O3/c18-8-7-15(23)22-11-1-2-14(22)17(25)21-10-9-20-16(24)12-3-5-13(19)6-4-12/h3-6,14H,1-2,7-11H2,(H,20,24)(H,21,25)/t14-/m0/s1

InChI Key

KAULYZAKGRGSMC-AWEZNQCLSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.82

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

0.525

Distribution Coefficient, logD

0.525

Water Solubility, LogSw

-1.82

Polar Surface Area

65.472

Acid Dissociation Constant (pKa)

12.87

Base Dissociation Constant (pKb)

-1.05

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.10

V006-1108 in Drug Discovery

Included in Screening Libraries

Macl-GPIb alpha Interaction Library (22969 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular

References: we are preparing a list of scientific research reports with V006-1108 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V006-1108?
Check Price and Availability of V006-1108, 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 V006-1108 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V006-1108
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V006-1108
  • 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 V006-1108 available by request