V024-9618 Screening compound: N-[(4-fluorophenyl)methyl]-2-[4-(2-phenylbutanoyl)-1,4-diazepan-1-yl]-5-({[4-(trifluoromethyl)phenyl]carbamoyl}amino)benzamide

V024-9618 Screening compound: N-[(4-fluorophenyl)methyl]-2-[4-(2-phenylbutanoyl)-1,4-diazepan-1-yl]-5-({[4-(trifluoromethyl)phenyl]carbamoyl}amino)benzamide
V024-9618 Screening compound: N-[(4-fluorophenyl)methyl]-2-[4-(2-phenylbutanoyl)-1,4-diazepan-1-yl]-5-({[4-(trifluoromethyl)phenyl]carbamoyl}amino)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V024-9618
N-[(4-fluorophenyl)methyl]-2-[4-(2-phenylbutanoyl)-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

V024-9618

Molecular Formula

C37H37F4N5O3 (C37 H37 F4 N5 O3)

Compound Name

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

IUPAC name

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

SMILES

CCC(C(N(CCC1)CCN1c(ccc(NC(Nc1ccc(C(F)(F)F)cc1)=O)c1)c1C(NCc(cc1)ccc1F)=O)=O)c1ccccc1

InChI

InChI=1S/C37H37F4N5O3/c1-2-31(26-7-4-3-5-8-26)35(48)46-20-6-19-45(21-22-46)33-18-17-30(23-32(33)34(47)42-24-25-9-13-28(38)14-10-25)44-36(49)43-29-15-11-27(12-16-29)37(39,40)41/h3-5,7-18,23,31H,2,6,19-22,24H2,1H3,(H,42,47)(H2,43,44,49)/t31-/m1/s1

InChI Key

GUHAWZVDIWSJMR-WJOKGBTCSA-N

MDL Number (MFCD)

MFCD14259504

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

675.73

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

7.849

Distribution Coefficient, logD

7.848

Water Solubility, LogSw

-5.77

Polar Surface Area

76.893

Acid Dissociation Constant (pKa)

10.94

Base Dissociation Constant (pKb)

4.10

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.00

V024-9618 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with V024-9618 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V024-9618?
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What is the minimum amount of V024-9618 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V024-9618
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V024-9618
  • 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 V024-9618 available by request