V002-5501 Screening compound: N-(3-{[(butan-2-yl)(tert-butylcarbamoyl)amino]methyl}-4-(dimethylamino)phenyl)cyclopropanecarboxamide

V002-5501 Screening compound: N-(3-{[(butan-2-yl)(tert-butylcarbamoyl)amino]methyl}-4-(dimethylamino)phenyl)cyclopropanecarboxamide
V002-5501 Screening compound: N-(3-{[(butan-2-yl)(tert-butylcarbamoyl)amino]methyl}-4-(dimethylamino)phenyl)cyclopropanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V002-5501
N-(3-{[(butan-2-yl)(tert-butylcarbamoyl)amino]methyl}-4-(dimethylamino)phenyl)cyclopropanecarboxamide

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

V002-5501

Molecular Formula

C22H36N4O2 (C22 H36 N4 O2)

Compound Name

N-(3-{[(butan-2-yl)(tert-butylcarbamoyl)amino]methyl}-4-(dimethylamino)phenyl)cyclopropanecarboxamide

IUPAC name

N-(3-{[(butan-2-yl)(tert-butylcarbamoyl)amino]methyl}-4-(dimethylamino)phenyl)cyclopropanecarboxamide

SMILES

CCC(C)N(Cc(cc(cc1)NC(C2CC2)=O)c1N(C)C)C(NC(C)(C)C)=O

InChI

InChI=1S/C22H36N4O2/c1-8-15(2)26(21(28)24-22(3,4)5)14-17-13-18(11-12-19(17)25(6)7)23-20(27)16-9-10-16/h11-13,15-16H,8-10,14H2,1-7H3,(H,23,27)(H,24,28)/t15-/m0/s1

InChI Key

FJLIQFCCRFUUBI-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD19798566

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

388.55

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.568

Distribution Coefficient, logD

4.556

Water Solubility, LogSw

-4.29

Polar Surface Area

51.134

Acid Dissociation Constant (pKa)

12.46

Base Dissociation Constant (pKb)

5.85

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

63.60

V002-5501 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with V002-5501 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-5501?
Check Price and Availability of V002-5501, 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 V002-5501 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-5501
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-5501
  • 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 V002-5501 available by request