V001-2785 Screening compound: methyl 4-({[1-(3-ethoxypropyl)-5-[(3-methylpiperidin-1-yl)sulfonyl]-1H-1,3-benzodiazol-2-yl]sulfanyl}methyl)-3-methoxybenzoate

V001-2785 Screening compound: methyl 4-({[1-(3-ethoxypropyl)-5-[(3-methylpiperidin-1-yl)sulfonyl]-1H-1,3-benzodiazol-2-yl]sulfanyl}methyl)-3-methoxybenzoate
V001-2785 Screening compound: methyl 4-({[1-(3-ethoxypropyl)-5-[(3-methylpiperidin-1-yl)sulfonyl]-1H-1,3-benzodiazol-2-yl]sulfanyl}methyl)-3-methoxybenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound V001-2785
methyl 4-({[1-(3-ethoxypropyl)-5-[(3-methylpiperidin-1-yl)sulfonyl]-1H-1,3-benzodiazol-2-yl]sulfanyl}methyl)-3-methoxybenzoate

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

V001-2785

Molecular Formula

C28H37N3O6S2 (C28 H37 N3 O6 S2)

Compound Name

methyl 4-({[1-(3-ethoxypropyl)-5-[(3-methylpiperidin-1-yl)sulfonyl]-1H-1,3-benzodiazol-2-yl]sulfanyl}methyl)-3-methoxybenzoate

IUPAC name

methyl 4-({[1-(3-ethoxypropyl)-5-[(3-methylpiperidin-1-yl)sulfonyl]-1H-13-benzodiazol-2-yl]sulfanyl}methyl)-3-methoxybenzoate

SMILES

CCOCCCn1c(SCc(ccc(C(OC)=O)c2)c2OC)nc2c1ccc(S(N1CC(C)CCC1)(=O)=O)c2

InChI

InChI=1S/C28H37N3O6S2/c1-5-37-15-7-14-31-25-12-11-23(39(33,34)30-13-6-8-20(2)18-30)17-24(25)29-28(31)38-19-22-10-9-21(27(32)36-4)16-26(22)35-3/h9-12,16-17,20H,5-8,13-15,18-19H2,1-4H3/t20-/m0/s1

InChI Key

KXLVUCCJQMPZOW-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD19960376

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

575.75

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.559

Distribution Coefficient, logD

5.557

Water Solubility, LogSw

-5.35

Polar Surface Area

79.153

Acid Dissociation Constant (pKa)

24.63

Base Dissociation Constant (pKb)

4.79

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with V001-2785 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V001-2785?
Check Price and Availability of V001-2785, 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 V001-2785 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V001-2785
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V001-2785
  • 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 V001-2785 available by request