V021-2025 Screening compound: 11-{4-[(3-chlorophenyl)sulfonyl]piperazino}-7-(trifluoromethyl)dibenzo[b,f][1,4]oxazepine

Chemical Structure Depiction of ChemDiv screening compound V021-2025
11-{4-[(3-chlorophenyl)sulfonyl]piperazino}-7-(trifluoromethyl)dibenzo[b,f][1,4]oxazepine

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)

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Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

V021-2025

Molecular Formula

C₂₄H₁₉ClF₃N₃O₃S (C24 H19 ClF3 N3 O3 S)

Compound Name

11-{4-[(3-chlorophenyl)sulfonyl]piperazino}-7-(trifluoromethyl)dibenzo[b,f][1,4]oxazepine

IUPAC name

10-[4-(3-chlorobenzenesulfonyl)piperazin-1-yl]-5-(trifluoromethyl)-2-oxa-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)35791214-heptaene

SMILES

O=S(c1cccc(Cl)c1)(N(CC1)CCN1C1=Nc(ccc(C(F)(F)F)c2)c2Oc2c1cccc2)=O

InChI

InChI=1S/C24H19ClF3N3O3S/c25-17-4-3-5-18(15-17)35(32,33)31-12-10-30(11-13-31)23-19-6-1-2-7-21(19)34-22-14-16(24(26,27)28)8-9-20(22)29-23/h1-9,14-15H,10-13H2

InChI Key

VPKCYHMVONVSRE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14284223

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

521.95

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

Partition Coefficient, logP

5.422

Distribution Coefficient, logD

4.115

Water Solubility, LogSw

-6.06

Polar Surface Area

49.781

Acid Dissociation Constant (pK_a)

28.25

Base Dissociation Constant (pK_b)

8.69

Number of Chiral Centers

0.00

Percent sp³ carbon bonding

20.80

References: we are preparing a list of scientific research reports with V021-2025 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-2025?
Check Price and Availability of V021-2025, 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 V021-2025 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.

Delivery options for V021-2025
ChemDiv sends parcels with Express services (UPS, WC).

1–2 days for small orders
2–4 weeks for large selections

Delivery formats for V021-2025

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 V021-2025 available by request