V004-6726 Screening compound: N-(3-{[N-(butan-2-yl)-2,2-dimethylpropanamido]methyl}-4-(dimethylamino)phenyl)cyclopropanecarboxamide

V004-6726 Screening compound: N-(3-{[N-(butan-2-yl)-2,2-dimethylpropanamido]methyl}-4-(dimethylamino)phenyl)cyclopropanecarboxamide
V004-6726 Screening compound: N-(3-{[N-(butan-2-yl)-2,2-dimethylpropanamido]methyl}-4-(dimethylamino)phenyl)cyclopropanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-6726
N-(3-{[N-(butan-2-yl)-2,2-dimethylpropanamido]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

V004-6726

Molecular Formula

C22H35N3O2 (C22 H35 N3 O2)

Compound Name

N-(3-{[N-(butan-2-yl)-2,2-dimethylpropanamido]methyl}-4-(dimethylamino)phenyl)cyclopropanecarboxamide

IUPAC name

N-(3-{[N-(butan-2-yl)-22-dimethylpropanamido]methyl}-4-(dimethylamino)phenyl)cyclopropanecarboxamide

SMILES

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

InChI

InChI=1S/C22H35N3O2/c1-8-15(2)25(21(27)22(3,4)5)14-17-13-18(11-12-19(17)24(6)7)23-20(26)16-9-10-16/h11-13,15-16H,8-10,14H2,1-7H3,(H,23,26)/t15-/m0/s1

InChI Key

IDPCZSRENOAGAA-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD19794452

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

373.54

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.548

Distribution Coefficient, logD

4.547

Water Solubility, LogSw

-4.27

Polar Surface Area

42.167

Acid Dissociation Constant (pKa)

12.46

Base Dissociation Constant (pKb)

8.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

63.60

V004-6726 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 V004-6726 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-6726?
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What is the minimum amount of V004-6726 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-6726
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-6726
  • 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 V004-6726 available by request