V010-5718 Screening compound: 3,3-dimethyl-1-({1-[3-(morpholin-4-yl)propyl]-5-(morpholine-4-sulfonyl)-1H-1,3-benzodiazol-2-yl}sulfanyl)butan-2-one

V010-5718 Screening compound: 3,3-dimethyl-1-({1-[3-(morpholin-4-yl)propyl]-5-(morpholine-4-sulfonyl)-1H-1,3-benzodiazol-2-yl}sulfanyl)butan-2-one
V010-5718 Screening compound: 3,3-dimethyl-1-({1-[3-(morpholin-4-yl)propyl]-5-(morpholine-4-sulfonyl)-1H-1,3-benzodiazol-2-yl}sulfanyl)butan-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V010-5718
3,3-dimethyl-1-({1-[3-(morpholin-4-yl)propyl]-5-(morpholine-4-sulfonyl)-1H-1,3-benzodiazol-2-yl}sulfanyl)butan-2-one

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

V010-5718

Molecular Formula

C24H36N4O5S2 (C24 H36 N4 O5 S2)

Compound Name

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

IUPAC name

33-dimethyl-1-({1-[3-(morpholin-4-yl)propyl]-5-(morpholine-4-sulfonyl)-1H-13-benzodiazol-2-yl}sulfanyl)butan-2-one

SMILES

CC(C)(C)C(CSc1nc(cc(cc2)S(N3CCOCC3)(=O)=O)c2n1CCCN1CCOCC1)=O

InChI

InChI=1S/C24H36N4O5S2/c1-24(2,3)22(29)18-34-23-25-20-17-19(35(30,31)27-11-15-33-16-12-27)5-6-21(20)28(23)8-4-7-26-9-13-32-14-10-26/h5-6,17H,4,7-16,18H2,1-3H3

InChI Key

IKALTMKUKIGXSB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19958494

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

524.71

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.793

Distribution Coefficient, logD

2.648

Water Solubility, LogSw

-3.24

Polar Surface Area

75.485

Acid Dissociation Constant (pKa)

18.12

Base Dissociation Constant (pKb)

7.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

66.70

V010-5718 in Drug Discovery

Included in Screening Libraries

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 V010-5718 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V010-5718?
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What is the minimum amount of V010-5718 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V010-5718
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V010-5718
  • 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 V010-5718 available by request