V011-2197 Screening compound: 2-[(butylcarbamoyl)(prop-2-en-1-yl)amino]-N-[(4-fluorophenyl)methyl]-N-[(5-methylfuran-2-yl)methyl]acetamide

V011-2197 Screening compound: 2-[(butylcarbamoyl)(prop-2-en-1-yl)amino]-N-[(4-fluorophenyl)methyl]-N-[(5-methylfuran-2-yl)methyl]acetamide
V011-2197 Screening compound: 2-[(butylcarbamoyl)(prop-2-en-1-yl)amino]-N-[(4-fluorophenyl)methyl]-N-[(5-methylfuran-2-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V011-2197
2-[(butylcarbamoyl)(prop-2-en-1-yl)amino]-N-[(4-fluorophenyl)methyl]-N-[(5-methylfuran-2-yl)methyl]acetamide

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

V011-2197

Molecular Formula

C23H30FN3O3 (C23 H30 FN3 O3)

Compound Name

2-[(butylcarbamoyl)(prop-2-en-1-yl)amino]-N-[(4-fluorophenyl)methyl]-N-[(5-methylfuran-2-yl)methyl]acetamide

IUPAC name

2-[(butylcarbamoyl)(prop-2-en-1-yl)amino]-N-[(4-fluorophenyl)methyl]-N-[(5-methylfuran-2-yl)methyl]acetamide

SMILES

CCCCNC(N(CC=C)CC(N(Cc1ccc(C)o1)Cc(cc1)ccc1F)=O)=O

InChI

InChI=1S/C23H30FN3O3/c1-4-6-13-25-23(29)26(14-5-2)17-22(28)27(16-21-12-7-18(3)30-21)15-19-8-10-20(24)11-9-19/h5,7-12H,2,4,6,13-17H2,1,3H3,(H,25,29)

InChI Key

AELWCUXZBHYUDH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19738432

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.161

Distribution Coefficient, logD

4.161

Water Solubility, LogSw

-3.98

Polar Surface Area

49.630

Acid Dissociation Constant (pKa)

16.30

Base Dissociation Constant (pKb)

-0.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

V011-2197 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 V011-2197 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V011-2197?
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What is the minimum amount of V011-2197 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V011-2197
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V011-2197
  • 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 V011-2197 available by request