C700-2721 Screening compound: 4-methoxyphenyl [4-(3-methylphenyl)-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepin-5(6H)-yl] sulfone

C700-2721 Screening compound: 4-methoxyphenyl [4-(3-methylphenyl)-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepin-5(6H)-yl] sulfone
C700-2721 Screening compound: 4-methoxyphenyl [4-(3-methylphenyl)-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepin-5(6H)-yl] sulfone alternative view

Chemical Structure Depiction of ChemDiv screening compound C700-2721
4-methoxyphenyl [4-(3-methylphenyl)-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepin-5(6H)-yl] sulfone

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

C700-2721

Molecular Formula

C28H28N2O3S2 (C28 H28 N2 O3 S2)

Compound Name

4-methoxyphenyl [4-(3-methylphenyl)-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepin-5(6H)-yl] sulfone

IUPAC name

8-(4-methoxybenzenesulfonyl)-7-(3-methylphenyl)-17-thia-28-diazatetracyclo[8.7.0.0^{26}.0^{1116}]heptadeca-1(10)3511(16)-tetraene

SMILES

Cc1cccc(C(c2cccn2-c2c(C3)c(CCCC4)c4s2)N3S(c(cc2)ccc2OC)(=O)=O)c1

InChI

InChI=1S/C28H28N2O3S2/c1-19-7-5-8-20(17-19)27-25-10-6-16-29(25)28-24(23-9-3-4-11-26(23)34-28)18-30(27)35(31,32)22-14-12-21(33-2)13-15-22/h5-8,10,12-17,27H,3-4,9,11,18H2,1-2H3/t27-/m1/s1

InChI Key

TUPKBPZOPDEJGR-HHHXNRCGSA-N

MDL Number (MFCD)

MFCD26965812

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

504.67

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.210

Distribution Coefficient, logD

7.210

Water Solubility, LogSw

-5.75

Polar Surface Area

41.506

Acid Dissociation Constant (pKa)

24.61

Base Dissociation Constant (pKb)

-2.55

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.57

C700-2721 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-infective Library (19449 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Infections
  • Immune system
  • animal
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C700-2721 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C700-2721?
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What is the minimum amount of C700-2721 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C700-2721
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C700-2721
  • 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 C700-2721 available by request