V005-2628 Screening compound: 2-{[(2-chloro-3,6-difluorophenyl)methyl]sulfanyl}-1-(cyclopropylmethyl)-5-(pyrrolidine-1-sulfonyl)-1H-1,3-benzodiazole

V005-2628 Screening compound: 2-{[(2-chloro-3,6-difluorophenyl)methyl]sulfanyl}-1-(cyclopropylmethyl)-5-(pyrrolidine-1-sulfonyl)-1H-1,3-benzodiazole
V005-2628 Screening compound: 2-{[(2-chloro-3,6-difluorophenyl)methyl]sulfanyl}-1-(cyclopropylmethyl)-5-(pyrrolidine-1-sulfonyl)-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound V005-2628
2-{[(2-chloro-3,6-difluorophenyl)methyl]sulfanyl}-1-(cyclopropylmethyl)-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

V005-2628

Molecular Formula

C22H22ClF2N3O2S2 (C22 H22 ClF2 N3 O2 S2)

Compound Name

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

IUPAC name

2-{[(2-chloro-36-difluorophenyl)methyl]sulfanyl}-1-(cyclopropylmethyl)-5-(pyrrolidine-1-sulfonyl)-1H-13-benzodiazole

SMILES

O=S(c(cc1)cc2c1n(CC1CC1)c(SCc(c(Cl)c(cc1)F)c1F)n2)(N1CCCC1)=O

InChI

InChI=1S/C22H22ClF2N3O2S2/c23-21-16(17(24)6-7-18(21)25)13-31-22-26-19-11-15(32(29,30)27-9-1-2-10-27)5-8-20(19)28(22)12-14-3-4-14/h5-8,11,14H,1-4,9-10,12-13H2

InChI Key

BJFIPNJMLCPJMZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19958335

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

498.02

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.117

Distribution Coefficient, logD

6.117

Water Solubility, LogSw

-6.51

Polar Surface Area

43.077

Acid Dissociation Constant (pKa)

24.24

Base Dissociation Constant (pKb)

3.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

References: we are preparing a list of scientific research reports with V005-2628 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V005-2628?
Check Price and Availability of V005-2628, 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 V005-2628 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V005-2628
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V005-2628
  • 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 V005-2628 available by request