V001-5942 Screening compound: ethyl 3-[4-(4-bromobenzenesulfonyl)-1,4-diazepan-1-yl]quinoxaline-2-carboxylate

V001-5942 Screening compound: ethyl 3-[4-(4-bromobenzenesulfonyl)-1,4-diazepan-1-yl]quinoxaline-2-carboxylate
V001-5942 Screening compound: ethyl 3-[4-(4-bromobenzenesulfonyl)-1,4-diazepan-1-yl]quinoxaline-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V001-5942
ethyl 3-[4-(4-bromobenzenesulfonyl)-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

V001-5942

Molecular Formula

C22H23BrN4O4S (C22 H23 BrN4 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CCOC(c1nc2ccccc2nc1N(CCC1)CCN1S(c(cc1)ccc1Br)(=O)=O)=O

InChI

InChI=1S/C22H23BrN4O4S/c1-2-31-22(28)20-21(25-19-7-4-3-6-18(19)24-20)26-12-5-13-27(15-14-26)32(29,30)17-10-8-16(23)9-11-17/h3-4,6-11H,2,5,12-15H2,1H3

InChI Key

JTCIONRPVNRJEY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19955994

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

519.42

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.753

Distribution Coefficient, logD

4.753

Water Solubility, LogSw

-4.43

Polar Surface Area

73.931

Acid Dissociation Constant (pKa)

24.22

Base Dissociation Constant (pKb)

-0.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

References: we are preparing a list of scientific research reports with V001-5942 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V001-5942?
Check Price and Availability of V001-5942, 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 V001-5942 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V001-5942
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V001-5942
  • 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 V001-5942 available by request