8018-3527 Screening compound: 5-chloro-6-({4-[(6-chloro-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)sulfonyl]-1,4-diazepan-1-yl}sulfonyl)-1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one

8018-3527 Screening compound: 5-chloro-6-({4-[(6-chloro-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)sulfonyl]-1,4-diazepan-1-yl}sulfonyl)-1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one
8018-3527 Screening compound: 5-chloro-6-({4-[(6-chloro-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)sulfonyl]-1,4-diazepan-1-yl}sulfonyl)-1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-3527
5-chloro-6-({4-[(6-chloro-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)sulfonyl]-1,4-diazepan-1-yl}sulfonyl)-1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-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

8018-3527

Molecular Formula

C23H26Cl2N6O6S2 (C23 H26 Cl2 N6 O6 S2)

Compound Name

5-chloro-6-({4-[(6-chloro-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)sulfonyl]-1,4-diazepan-1-yl}sulfonyl)-1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one

IUPAC name

5-chloro-6-({4-[(6-chloro-13-dimethyl-2-oxo-23-dihydro-1H-13-benzodiazol-5-yl)sulfonyl]-14-diazepan-1-yl}sulfonyl)-13-dimethyl-23-dihydro-1H-13-benzodiazol-2-one

SMILES

CN(c(c(N1C)c2)cc(S(N(CCC3)CCN3S(c(cc(c(N3C)c4)N(C)C3=O)c4Cl)(=O)=O)(=O)=O)c2Cl)C1=O

InChI

InChI=1S/C23H26Cl2N6O6S2/c1-26-16-10-14(24)20(12-18(16)28(3)22(26)32)38(34,35)30-6-5-7-31(9-8-30)39(36,37)21-13-19-17(11-15(21)25)27(2)23(33)29(19)4/h10-13H,5-9H2,1-4H3

InChI Key

QUHXMYVNYOERAW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07658166

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

617.53

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

2.408

Distribution Coefficient, logD

2.408

Water Solubility, LogSw

-3.04

Polar Surface Area

99.169

Acid Dissociation Constant (pKa)

27.38

Base Dissociation Constant (pKb)

-4.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

8018-3527 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8018-3527 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 8018-3527 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-3527
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-3527
  • 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 8018-3527 available by request