V025-4640 Screening compound: 5-(4-fluorobenzamido)-2-[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]-N-[(4-fluorophenyl)methyl]benzamide

V025-4640 Screening compound: 5-(4-fluorobenzamido)-2-[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]-N-[(4-fluorophenyl)methyl]benzamide
V025-4640 Screening compound: 5-(4-fluorobenzamido)-2-[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]-N-[(4-fluorophenyl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V025-4640
5-(4-fluorobenzamido)-2-[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]-N-[(4-fluorophenyl)methyl]benzamide

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

V025-4640

Molecular Formula

C33H29F3N4O3 (C33 H29 F3 N4 O3)

Compound Name

5-(4-fluorobenzamido)-2-[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]-N-[(4-fluorophenyl)methyl]benzamide

IUPAC name

5-(4-fluorobenzamido)-2-[4-(2-fluorobenzoyl)-14-diazepan-1-yl]-N-[(4-fluorophenyl)methyl]benzamide

SMILES

O=C(c(cc1)ccc1F)Nc(cc1)cc(C(NCc(cc2)ccc2F)=O)c1N(CCC1)CCN1C(c(cccc1)c1F)=O

InChI

InChI=1S/C33H29F3N4O3/c34-24-10-6-22(7-11-24)21-37-32(42)28-20-26(38-31(41)23-8-12-25(35)13-9-23)14-15-30(28)39-16-3-17-40(19-18-39)33(43)27-4-1-2-5-29(27)36/h1-2,4-15,20H,3,16-19,21H2,(H,37,42)(H,38,41)

InChI Key

NFLYQVAUZSAHPT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14258732

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

586.61

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.312

Distribution Coefficient, logD

5.310

Water Solubility, LogSw

-5.60

Polar Surface Area

67.682

Acid Dissociation Constant (pKa)

9.72

Base Dissociation Constant (pKb)

7.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

V025-4640 in Drug Discovery

Included in Screening Libraries

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with V025-4640 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V025-4640?
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What is the minimum amount of V025-4640 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V025-4640
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V025-4640
  • 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 V025-4640 available by request