V021-3445 Screening compound: ethyl 3-[4-(3-methoxybenzenesulfonyl)-1,4-diazepan-1-yl]quinoxaline-2-carboxylate

V021-3445 Screening compound: ethyl 3-[4-(3-methoxybenzenesulfonyl)-1,4-diazepan-1-yl]quinoxaline-2-carboxylate
V021-3445 Screening compound: ethyl 3-[4-(3-methoxybenzenesulfonyl)-1,4-diazepan-1-yl]quinoxaline-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-3445
ethyl 3-[4-(3-methoxybenzenesulfonyl)-1,4-diazepan-1-yl]quinoxaline-2-carboxylate

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

V021-3445

Molecular Formula

C23H26N4O5S (C23 H26 N4 O5 S)

Compound Name

ethyl 3-[4-(3-methoxybenzenesulfonyl)-1,4-diazepan-1-yl]quinoxaline-2-carboxylate

IUPAC name

ethyl 3-[4-(3-methoxybenzenesulfonyl)-14-diazepan-1-yl]quinoxaline-2-carboxylate

SMILES

CCOC(c1nc2ccccc2nc1N(CCC1)CCN1S(c1cc(OC)ccc1)(=O)=O)=O

InChI

InChI=1S/C23H26N4O5S/c1-3-32-23(28)21-22(25-20-11-5-4-10-19(20)24-21)26-12-7-13-27(15-14-26)33(29,30)18-9-6-8-17(16-18)31-2/h4-6,8-11,16H,3,7,12-15H2,1-2H3

InChI Key

KDVQKVQTTDXOJA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19956053

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

470.55

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.899

Distribution Coefficient, logD

3.899

Water Solubility, LogSw

-3.94

Polar Surface Area

81.475

Acid Dissociation Constant (pKa)

24.65

Base Dissociation Constant (pKb)

-0.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.78

References: we are preparing a list of scientific research reports with V021-3445 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-3445?
Check Price and Availability of V021-3445, 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 V021-3445 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-3445
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-3445
  • 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 V021-3445 available by request