V005-7816 Screening compound: N-(3-{[1-(3-chloropropanoyl)pyrrolidin-2-yl]formamido}propyl)benzamide

V005-7816 Screening compound: N-(3-{[1-(3-chloropropanoyl)pyrrolidin-2-yl]formamido}propyl)benzamide
V005-7816 Screening compound: N-(3-{[1-(3-chloropropanoyl)pyrrolidin-2-yl]formamido}propyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V005-7816
N-(3-{[1-(3-chloropropanoyl)pyrrolidin-2-yl]formamido}propyl)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

V005-7816

Molecular Formula

C18H24ClN3O3 (C18 H24 ClN3 O3)

Compound Name

N-(3-{[1-(3-chloropropanoyl)pyrrolidin-2-yl]formamido}propyl)benzamide

IUPAC name

N-(3-{[(2S)-1-(3-chloropropanoyl)pyrrolidin-2-yl]formamido}propyl)benzamide

SMILES

O=C(CCCl)N(CCC1)C1C(NCCCNC(c1ccccc1)=O)=O

InChI

InChI=1S/C18H24ClN3O3/c19-10-9-16(23)22-13-4-8-15(22)18(25)21-12-5-11-20-17(24)14-6-2-1-3-7-14/h1-3,6-7,15H,4-5,8-13H2,(H,20,24)(H,21,25)/t15-/m0/s1

InChI Key

AHISZJCWLPZOMV-HNNXBMFYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.86

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.666

Distribution Coefficient, logD

0.666

Water Solubility, LogSw

-1.80

Polar Surface Area

65.472

Acid Dissociation Constant (pKa)

14.21

Base Dissociation Constant (pKb)

2.91

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

V005-7816 in Drug Discovery

Included in Screening Libraries

Macl-GPIb alpha Interaction Library (22969 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular
Agro:
  • Agro

References: we are preparing a list of scientific research reports with V005-7816 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V005-7816?
Check Price and Availability of V005-7816, 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 V005-7816 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V005-7816
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V005-7816
  • 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 V005-7816 available by request