V012-4268 Screening compound: N-{6-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]pyridin-3-yl}-3-(trifluoromethyl)benzamide

V012-4268 Screening compound: N-{6-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]pyridin-3-yl}-3-(trifluoromethyl)benzamide
V012-4268 Screening compound: N-{6-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]pyridin-3-yl}-3-(trifluoromethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V012-4268
N-{6-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]pyridin-3-yl}-3-(trifluoromethyl)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

V012-4268

Molecular Formula

C24H22F4N4O3S (C24 H22 F4 N4 O3 S)

Compound Name

N-{6-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]pyridin-3-yl}-3-(trifluoromethyl)benzamide

IUPAC name

N-{6-[4-(4-fluorobenzenesulfonyl)-14-diazepan-1-yl]pyridin-3-yl}-3-(trifluoromethyl)benzamide

SMILES

O=C(c1cc(C(F)(F)F)ccc1)Nc(cc1)cnc1N(CCC1)CCN1S(c(cc1)ccc1F)(=O)=O

InChI

InChI=1S/C24H22F4N4O3S/c25-19-5-8-21(9-6-19)36(34,35)32-12-2-11-31(13-14-32)22-10-7-20(16-29-22)30-23(33)17-3-1-4-18(15-17)24(26,27)28/h1,3-10,15-16H,2,11-14H2,(H,30,33)

InChI Key

ZKEJTWRROFTCDF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19911905

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

522.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.000

Distribution Coefficient, logD

4.999

Water Solubility, LogSw

-4.81

Polar Surface Area

67.233

Acid Dissociation Constant (pKa)

10.08

Base Dissociation Constant (pKb)

4.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with V012-4268 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-4268?
Check Price and Availability of V012-4268, 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 V012-4268 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-4268
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-4268
  • 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 V012-4268 available by request