V011-2538 Screening compound: 1-(2-chloro-4-fluorobenzenesulfonyl)-4-[6-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-1,4-diazepane

V011-2538 Screening compound: 1-(2-chloro-4-fluorobenzenesulfonyl)-4-[6-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-1,4-diazepane
V011-2538 Screening compound: 1-(2-chloro-4-fluorobenzenesulfonyl)-4-[6-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-1,4-diazepane alternative view

Chemical Structure Depiction of ChemDiv screening compound V011-2538
1-(2-chloro-4-fluorobenzenesulfonyl)-4-[6-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-1,4-diazepane

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

V011-2538

Molecular Formula

C23H22ClFN6O3S (C23 H22 ClFN6 O3 S)

Compound Name

1-(2-chloro-4-fluorobenzenesulfonyl)-4-[6-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-1,4-diazepane

IUPAC name

1-(2-chloro-4-fluorobenzenesulfonyl)-4-[6-(4-methoxyphenyl)-[124]triazolo[15-a]pyrimidin-7-yl]-14-diazepane

SMILES

COc(cc1)ccc1-c(cnc1ncnn11)c1N(CCC1)CCN1S(c(ccc(F)c1)c1Cl)(=O)=O

InChI

InChI=1S/C23H22ClFN6O3S/c1-34-18-6-3-16(4-7-18)19-14-26-23-27-15-28-31(23)22(19)29-9-2-10-30(12-11-29)35(32,33)21-8-5-17(25)13-20(21)24/h3-8,13-15H,2,9-12H2,1H3

InChI Key

KFUUOACKIZTAHD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19961014

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

516.98

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.881

Distribution Coefficient, logD

3.872

Water Solubility, LogSw

-4.35

Polar Surface Area

73.642

Acid Dissociation Constant (pKa)

24.96

Base Dissociation Constant (pKb)

5.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

References: we are preparing a list of scientific research reports with V011-2538 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V011-2538?
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What is the minimum amount of V011-2538 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V011-2538
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V011-2538
  • 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 V011-2538 available by request