V025-4519 Screening compound: 4-[4-(4-methylbenzenesulfonamido)-2-(piperidine-1-carbonyl)phenyl]-N-[3-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide

V025-4519 Screening compound: 4-[4-(4-methylbenzenesulfonamido)-2-(piperidine-1-carbonyl)phenyl]-N-[3-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide
V025-4519 Screening compound: 4-[4-(4-methylbenzenesulfonamido)-2-(piperidine-1-carbonyl)phenyl]-N-[3-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V025-4519
4-[4-(4-methylbenzenesulfonamido)-2-(piperidine-1-carbonyl)phenyl]-N-[3-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide

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

V025-4519

Molecular Formula

C32H36F3N5O4S (C32 H36 F3 N5 O4 S)

Compound Name

4-[4-(4-methylbenzenesulfonamido)-2-(piperidine-1-carbonyl)phenyl]-N-[3-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide

IUPAC name

4-[4-(4-methylbenzenesulfonamido)-2-(piperidine-1-carbonyl)phenyl]-N-[3-(trifluoromethyl)phenyl]-14-diazepane-1-carboxamide

SMILES

Cc(cc1)ccc1S(Nc(cc1)cc(C(N2CCCCC2)=O)c1N(CCC1)CCN1C(Nc1cc(C(F)(F)F)ccc1)=O)(=O)=O

InChI

InChI=1S/C32H36F3N5O4S/c1-23-9-12-27(13-10-23)45(43,44)37-26-11-14-29(28(22-26)30(41)39-15-3-2-4-16-39)38-17-6-18-40(20-19-38)31(42)36-25-8-5-7-24(21-25)32(33,34)35/h5,7-14,21-22,37H,2-4,6,15-20H2,1H3,(H,36,42)

InChI Key

SPFWQQOTDCPIEH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14259565

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

643.73

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

6.178

Distribution Coefficient, logD

6.139

Water Solubility, LogSw

-5.53

Polar Surface Area

86.296

Acid Dissociation Constant (pKa)

8.98

Base Dissociation Constant (pKb)

6.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

V025-4519 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 V025-4519 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V025-4519?
Check Price and Availability of V025-4519, 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 V025-4519 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V025-4519
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V025-4519
  • 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 V025-4519 available by request