V023-6820 Screening compound: N-{3-[(N-cyclohexyl-2-phenylbutanamido)methyl]-4-(dimethylamino)phenyl}-3-fluorobenzamide

V023-6820 Screening compound: N-{3-[(N-cyclohexyl-2-phenylbutanamido)methyl]-4-(dimethylamino)phenyl}-3-fluorobenzamide
V023-6820 Screening compound: N-{3-[(N-cyclohexyl-2-phenylbutanamido)methyl]-4-(dimethylamino)phenyl}-3-fluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V023-6820
N-{3-[(N-cyclohexyl-2-phenylbutanamido)methyl]-4-(dimethylamino)phenyl}-3-fluorobenzamide

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

V023-6820

Molecular Formula

C32H38FN3O2 (C32 H38 FN3 O2)

Compound Name

N-{3-[(N-cyclohexyl-2-phenylbutanamido)methyl]-4-(dimethylamino)phenyl}-3-fluorobenzamide

IUPAC name

N-{3-[(N-cyclohexyl-2-phenylbutanamido)methyl]-4-(dimethylamino)phenyl}-3-fluorobenzamide

SMILES

CCC(C(N(Cc(cc(cc1)NC(c2cccc(F)c2)=O)c1N(C)C)C1CCCCC1)=O)c1ccccc1

InChI

InChI=1S/C32H38FN3O2/c1-4-29(23-12-7-5-8-13-23)32(38)36(28-16-9-6-10-17-28)22-25-21-27(18-19-30(25)35(2)3)34-31(37)24-14-11-15-26(33)20-24/h5,7-8,11-15,18-21,28-29H,4,6,9-10,16-17,22H2,1-3H3,(H,34,37)/t29-/m1/s1

InChI Key

MEWSQOLGJSWLSI-GDLZYMKVSA-N

MDL Number (MFCD)

MFCD19798971

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

515.67

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.188

Distribution Coefficient, logD

7.185

Water Solubility, LogSw

-5.64

Polar Surface Area

41.018

Acid Dissociation Constant (pKa)

10.05

Base Dissociation Constant (pKb)

8.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

V023-6820 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • Epigenetic
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with V023-6820 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V023-6820?
Check Price and Availability of V023-6820, 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 V023-6820 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V023-6820
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V023-6820
  • 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 V023-6820 available by request