V007-4129 Screening compound: methyl 3-methoxy-4-({[5-(morpholine-4-sulfonyl)-1-[(oxolan-2-yl)methyl]-1H-1,3-benzodiazol-2-yl]sulfanyl}methyl)benzoate

V007-4129 Screening compound: methyl 3-methoxy-4-({[5-(morpholine-4-sulfonyl)-1-[(oxolan-2-yl)methyl]-1H-1,3-benzodiazol-2-yl]sulfanyl}methyl)benzoate
V007-4129 Screening compound: methyl 3-methoxy-4-({[5-(morpholine-4-sulfonyl)-1-[(oxolan-2-yl)methyl]-1H-1,3-benzodiazol-2-yl]sulfanyl}methyl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound V007-4129
methyl 3-methoxy-4-({[5-(morpholine-4-sulfonyl)-1-[(oxolan-2-yl)methyl]-1H-1,3-benzodiazol-2-yl]sulfanyl}methyl)benzoate

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

V007-4129

Molecular Formula

C26H31N3O7S2 (C26 H31 N3 O7 S2)

Compound Name

methyl 3-methoxy-4-({[5-(morpholine-4-sulfonyl)-1-[(oxolan-2-yl)methyl]-1H-1,3-benzodiazol-2-yl]sulfanyl}methyl)benzoate

IUPAC name

methyl 3-methoxy-4-({[5-(morpholine-4-sulfonyl)-1-[(oxolan-2-yl)methyl]-1H-13-benzodiazol-2-yl]sulfanyl}methyl)benzoate

SMILES

COC(c1cc(OC)c(CSc2nc(cc(cc3)S(N4CCOCC4)(=O)=O)c3n2CC2OCCC2)cc1)=O

InChI

InChI=1S/C26H31N3O7S2/c1-33-24-14-18(25(30)34-2)5-6-19(24)17-37-26-27-22-15-21(38(31,32)28-9-12-35-13-10-28)7-8-23(22)29(26)16-20-4-3-11-36-20/h5-8,14-15,20H,3-4,9-13,16-17H2,1-2H3/t20-/m1/s1

InChI Key

GMRHMHHBCZABAD-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD19960353

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

561.68

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.898

Distribution Coefficient, logD

3.898

Water Solubility, LogSw

-3.92

Polar Surface Area

87.555

Acid Dissociation Constant (pKa)

24.27

Base Dissociation Constant (pKb)

4.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.20

V007-4129 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V007-4129 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V007-4129?
Check Price and Availability of V007-4129, 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 V007-4129 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V007-4129
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V007-4129
  • 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 V007-4129 available by request