V018-9938 Screening compound: ethyl 3-{4-[(2,6-difluorophenyl)sulfonyl]-1,4-diazepan-1-yl}-2-quinoxalinecarboxylate

V018-9938 Screening compound: ethyl 3-{4-[(2,6-difluorophenyl)sulfonyl]-1,4-diazepan-1-yl}-2-quinoxalinecarboxylate
V018-9938 Screening compound: ethyl 3-{4-[(2,6-difluorophenyl)sulfonyl]-1,4-diazepan-1-yl}-2-quinoxalinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V018-9938
ethyl 3-{4-[(2,6-difluorophenyl)sulfonyl]-1,4-diazepan-1-yl}-2-quinoxalinecarboxylate

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

V018-9938

Molecular Formula

C22H22F2N4O4S (C22 H22 F2 N4 O4 S)

Compound Name

ethyl 3-{4-[(2,6-difluorophenyl)sulfonyl]-1,4-diazepan-1-yl}-2-quinoxalinecarboxylate

IUPAC name

ethyl 3-[4-(26-difluorobenzenesulfonyl)-14-diazepan-1-yl]quinoxaline-2-carboxylate

SMILES

CCOC(c1nc2ccccc2nc1N(CCC1)CCN1S(c(c(F)ccc1)c1F)(=O)=O)=O

InChI

InChI=1S/C22H22F2N4O4S/c1-2-32-22(29)19-21(26-18-10-4-3-9-17(18)25-19)27-11-6-12-28(14-13-27)33(30,31)20-15(23)7-5-8-16(20)24/h3-5,7-10H,2,6,11-14H2,1H3

InChI Key

XWJVXPZWPMOUAN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19956050

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

476.5

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

3.855

Distribution Coefficient, logD

3.855

Water Solubility, LogSw

-3.76

Polar Surface Area

73.931

Acid Dissociation Constant (pKa)

24.65

Base Dissociation Constant (pKb)

-0.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.82

References: we are preparing a list of scientific research reports with V018-9938 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V018-9938?
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What is the minimum amount of V018-9938 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V018-9938
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V018-9938
  • 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 V018-9938 available by request