V003-4997 Screening compound: 2-[(tert-butylcarbamoyl)(cyclopropyl)amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide

V003-4997 Screening compound: 2-[(tert-butylcarbamoyl)(cyclopropyl)amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide
V003-4997 Screening compound: 2-[(tert-butylcarbamoyl)(cyclopropyl)amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-4997
2-[(tert-butylcarbamoyl)(cyclopropyl)amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)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

V003-4997

Molecular Formula

C24H33N3O3 (C24 H33 N3 O3)

Compound Name

2-[(tert-butylcarbamoyl)(cyclopropyl)amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide

IUPAC name

2-[(tert-butylcarbamoyl)(cyclopropyl)amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide

SMILES

CC(C)(C)NC(N(CC(N(CCc1ccccc1)Cc1ccc(C)o1)=O)C1CC1)=O

InChI

InChI=1S/C24H33N3O3/c1-18-10-13-21(30-18)16-26(15-14-19-8-6-5-7-9-19)22(28)17-27(20-11-12-20)23(29)25-24(2,3)4/h5-10,13,20H,11-12,14-17H2,1-4H3,(H,25,29)

InChI Key

UIUAQNFXZFHUBC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19765430

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.54

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.285

Distribution Coefficient, logD

4.285

Water Solubility, LogSw

-4.17

Polar Surface Area

47.917

Acid Dissociation Constant (pKa)

17.04

Base Dissociation Constant (pKb)

3.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

V003-4997 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 V003-4997 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-4997?
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What is the minimum amount of V003-4997 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-4997
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-4997
  • 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 V003-4997 available by request