V025-0832 Screening compound: N-[(4-fluorophenyl)methyl]-2-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-5-({[4-(trifluoromethyl)phenyl]carbamoyl}amino)benzamide

V025-0832 Screening compound: N-[(4-fluorophenyl)methyl]-2-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-5-({[4-(trifluoromethyl)phenyl]carbamoyl}amino)benzamide
V025-0832 Screening compound: N-[(4-fluorophenyl)methyl]-2-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-5-({[4-(trifluoromethyl)phenyl]carbamoyl}amino)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V025-0832
N-[(4-fluorophenyl)methyl]-2-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-5-({[4-(trifluoromethyl)phenyl]carbamoyl}amino)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

V025-0832

Molecular Formula

C32H29F4N5O4 (C32 H29 F4 N5 O4)

Compound Name

N-[(4-fluorophenyl)methyl]-2-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-5-({[4-(trifluoromethyl)phenyl]carbamoyl}amino)benzamide

IUPAC name

N-[(4-fluorophenyl)methyl]-2-[4-(furan-2-carbonyl)-14-diazepan-1-yl]-5-({[4-(trifluoromethyl)phenyl]carbamoyl}amino)benzamide

SMILES

O=C(c1ccco1)N(CCC1)CCN1c(ccc(NC(Nc1ccc(C(F)(F)F)cc1)=O)c1)c1C(NCc(cc1)ccc1F)=O

InChI

InChI=1S/C32H29F4N5O4/c33-23-8-4-21(5-9-23)20-37-29(42)26-19-25(39-31(44)38-24-10-6-22(7-11-24)32(34,35)36)12-13-27(26)40-14-2-15-41(17-16-40)30(43)28-3-1-18-45-28/h1,3-13,18-19H,2,14-17,20H2,(H,37,42)(H2,38,39,44)

InChI Key

OGWLLVNGCZOEIU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14259497

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

623.61

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

6.088

Distribution Coefficient, logD

6.088

Water Solubility, LogSw

-6.02

Polar Surface Area

85.472

Acid Dissociation Constant (pKa)

10.94

Base Dissociation Constant (pKb)

3.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.90

V025-0832 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with V025-0832 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V025-0832?
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What is the minimum amount of V025-0832 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V025-0832
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V025-0832
  • 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 V025-0832 available by request