V009-7850 Screening compound: butyl 2-({1-[3-(morpholin-4-yl)propyl]-5-(morpholine-4-sulfonyl)-1H-1,3-benzodiazol-2-yl}sulfanyl)propanoate

V009-7850 Screening compound: butyl 2-({1-[3-(morpholin-4-yl)propyl]-5-(morpholine-4-sulfonyl)-1H-1,3-benzodiazol-2-yl}sulfanyl)propanoate
V009-7850 Screening compound: butyl 2-({1-[3-(morpholin-4-yl)propyl]-5-(morpholine-4-sulfonyl)-1H-1,3-benzodiazol-2-yl}sulfanyl)propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound V009-7850
butyl 2-({1-[3-(morpholin-4-yl)propyl]-5-(morpholine-4-sulfonyl)-1H-1,3-benzodiazol-2-yl}sulfanyl)propanoate

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

V009-7850

Molecular Formula

C25H38N4O6S2 (C25 H38 N4 O6 S2)

Compound Name

butyl 2-({1-[3-(morpholin-4-yl)propyl]-5-(morpholine-4-sulfonyl)-1H-1,3-benzodiazol-2-yl}sulfanyl)propanoate

IUPAC name

butyl 2-({1-[3-(morpholin-4-yl)propyl]-5-(morpholine-4-sulfonyl)-1H-13-benzodiazol-2-yl}sulfanyl)propanoate

SMILES

CCCCOC(C(C)Sc1nc(cc(cc2)S(N3CCOCC3)(=O)=O)c2n1CCCN1CCOCC1)=O

InChI

InChI=1S/C25H38N4O6S2/c1-3-4-14-35-24(30)20(2)36-25-26-22-19-21(37(31,32)28-12-17-34-18-13-28)6-7-23(22)29(25)9-5-8-27-10-15-33-16-11-27/h6-7,19-20H,3-5,8-18H2,1-2H3/t20-/m0/s1

InChI Key

XBZAEUMATZFMOE-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD19960145

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

554.73

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.491

Distribution Coefficient, logD

3.346

Water Solubility, LogSw

-3.69

Polar Surface Area

83.286

Acid Dissociation Constant (pKa)

17.71

Base Dissociation Constant (pKb)

7.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

68.00

V009-7850 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 V009-7850 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V009-7850?
Check Price and Availability of V009-7850, 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 V009-7850 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V009-7850
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V009-7850
  • 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 V009-7850 available by request