V007-3559 Screening compound: 2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-1-[(oxolan-2-yl)methyl]-5-(pyrrolidine-1-sulfonyl)-1H-1,3-benzodiazole

V007-3559 Screening compound: 2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-1-[(oxolan-2-yl)methyl]-5-(pyrrolidine-1-sulfonyl)-1H-1,3-benzodiazole
V007-3559 Screening compound: 2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-1-[(oxolan-2-yl)methyl]-5-(pyrrolidine-1-sulfonyl)-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound V007-3559
2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-1-[(oxolan-2-yl)methyl]-5-(pyrrolidine-1-sulfonyl)-1H-1,3-benzodiazole

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

V007-3559

Molecular Formula

C23H25ClFN3O3S2 (C23 H25 ClFN3 O3 S2)

Compound Name

2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-1-[(oxolan-2-yl)methyl]-5-(pyrrolidine-1-sulfonyl)-1H-1,3-benzodiazole

IUPAC name

2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-1-[(oxolan-2-yl)methyl]-5-(pyrrolidine-1-sulfonyl)-1H-13-benzodiazole

SMILES

O=S(c(cc1)cc2c1n(CC1OCCC1)c(SCc(c(F)ccc1)c1Cl)n2)(N1CCCC1)=O

InChI

InChI=1S/C23H25ClFN3O3S2/c24-19-6-3-7-20(25)18(19)15-32-23-26-21-13-17(33(29,30)27-10-1-2-11-27)8-9-22(21)28(23)14-16-5-4-12-31-16/h3,6-9,13,16H,1-2,4-5,10-12,14-15H2/t16-/m1/s1

InChI Key

HITGAVRNKPPBRS-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD19958441

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

510.05

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.028

Distribution Coefficient, logD

5.028

Water Solubility, LogSw

-5.30

Polar Surface Area

51.209

Acid Dissociation Constant (pKa)

24.27

Base Dissociation Constant (pKb)

3.71

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.50

References: we are preparing a list of scientific research reports with V007-3559 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V007-3559?
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What is the minimum amount of V007-3559 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V007-3559
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V007-3559
  • 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 V007-3559 available by request