V012-2557 Screening compound: 2-{[(3,4-dimethylphenyl)methyl]sulfanyl}-1-[3-(morpholin-4-yl)propyl]-5-(morpholine-4-sulfonyl)-1H-1,3-benzodiazole

V012-2557 Screening compound: 2-{[(3,4-dimethylphenyl)methyl]sulfanyl}-1-[3-(morpholin-4-yl)propyl]-5-(morpholine-4-sulfonyl)-1H-1,3-benzodiazole
V012-2557 Screening compound: 2-{[(3,4-dimethylphenyl)methyl]sulfanyl}-1-[3-(morpholin-4-yl)propyl]-5-(morpholine-4-sulfonyl)-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound V012-2557
2-{[(3,4-dimethylphenyl)methyl]sulfanyl}-1-[3-(morpholin-4-yl)propyl]-5-(morpholine-4-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

V012-2557

Molecular Formula

C27H36N4O4S2 (C27 H36 N4 O4 S2)

Compound Name

2-{[(3,4-dimethylphenyl)methyl]sulfanyl}-1-[3-(morpholin-4-yl)propyl]-5-(morpholine-4-sulfonyl)-1H-1,3-benzodiazole

IUPAC name

2-{[(34-dimethylphenyl)methyl]sulfanyl}-1-[3-(morpholin-4-yl)propyl]-5-(morpholine-4-sulfonyl)-1H-13-benzodiazole

SMILES

Cc1c(C)cc(CSc2nc(cc(cc3)S(N4CCOCC4)(=O)=O)c3n2CCCN2CCOCC2)cc1

InChI

InChI=1S/C27H36N4O4S2/c1-21-4-5-23(18-22(21)2)20-36-27-28-25-19-24(37(32,33)30-12-16-35-17-13-30)6-7-26(25)31(27)9-3-8-29-10-14-34-15-11-29/h4-7,18-19H,3,8-17,20H2,1-2H3

InChI Key

URFAKOJIKMSWNU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19958381

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

544.74

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.245

Distribution Coefficient, logD

4.100

Water Solubility, LogSw

-4.10

Polar Surface Area

61.966

Acid Dissociation Constant (pKa)

24.63

Base Dissociation Constant (pKb)

7.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

51.90

V012-2557 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with V012-2557 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-2557?
Check Price and Availability of V012-2557, 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 V012-2557 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-2557
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-2557
  • 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 V012-2557 available by request