V017-7783 Screening compound: N-(3-chloro-4-fluorophenyl)-N'-{6-[4-(4-methylbenzoyl)-1,4-diazepan-1-yl]-3-pyridyl}urea

V017-7783 Screening compound: N-(3-chloro-4-fluorophenyl)-N'-{6-[4-(4-methylbenzoyl)-1,4-diazepan-1-yl]-3-pyridyl}urea
V017-7783 Screening compound: N-(3-chloro-4-fluorophenyl)-N'-{6-[4-(4-methylbenzoyl)-1,4-diazepan-1-yl]-3-pyridyl}urea alternative view

Chemical Structure Depiction of ChemDiv screening compound V017-7783
N-(3-chloro-4-fluorophenyl)-N'-{6-[4-(4-methylbenzoyl)-1,4-diazepan-1-yl]-3-pyridyl}urea

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

V017-7783

Molecular Formula

C25H25ClFN5O2 (C25 H25 ClFN5 O2)

Compound Name

N-(3-chloro-4-fluorophenyl)-N'-{6-[4-(4-methylbenzoyl)-1,4-diazepan-1-yl]-3-pyridyl}urea

IUPAC name

1-(3-chloro-4-fluorophenyl)-3-{6-[4-(4-methylbenzoyl)-14-diazepan-1-yl]pyridin-3-yl}urea

SMILES

Cc(cc1)ccc1C(N(CCC1)CCN1c(cc1)ncc1NC(Nc(cc1)cc(Cl)c1F)=O)=O

InChI

InChI=1S/C25H25ClFN5O2/c1-17-3-5-18(6-4-17)24(33)32-12-2-11-31(13-14-32)23-10-8-20(16-28-23)30-25(34)29-19-7-9-22(27)21(26)15-19/h3-10,15-16H,2,11-14H2,1H3,(H2,29,30,34)

InChI Key

ITKASEFVOBQRAJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19911705

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

481.96

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.743

Distribution Coefficient, logD

5.740

Water Solubility, LogSw

-5.98

Polar Surface Area

61.382

Acid Dissociation Constant (pKa)

9.54

Base Dissociation Constant (pKb)

3.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

V017-7783 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with V017-7783 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V017-7783?
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What is the minimum amount of V017-7783 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V017-7783
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V017-7783
  • 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 V017-7783 available by request