0590-0470 Screening compound: 1-(10-acetyl-3,8-dibromo-4b,9b-diphenyl-4b,9b-dihydroindolo[3,2-b]indol-5-yl)-1-ethanone

0590-0470 Screening compound: 1-(10-acetyl-3,8-dibromo-4b,9b-diphenyl-4b,9b-dihydroindolo[3,2-b]indol-5-yl)-1-ethanone
0590-0470 Screening compound: 1-(10-acetyl-3,8-dibromo-4b,9b-diphenyl-4b,9b-dihydroindolo[3,2-b]indol-5-yl)-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 0590-0470
1-(10-acetyl-3,8-dibromo-4b,9b-diphenyl-4b,9b-dihydroindolo[3,2-b]indol-5-yl)-1-ethanone

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

0590-0470

Molecular Formula

C30H22Br2N2O2 (C30 H22 Br2 N2 O2)

Compound Name

1-(10-acetyl-3,8-dibromo-4b,9b-diphenyl-4b,9b-dihydroindolo[3,2-b]indol-5-yl)-1-ethanone

IUPAC name

1-{16-acetyl-412-dibromo-19-diphenyl-816-diazatetracyclo[7.7.0.0^{27}.0^{1015}]hexadeca-246101214-hexaen-8-yl}ethan-1-one

SMILES

CC(N(C(C12c3ccccc3)(c(cc(cc3)Br)c3N1C(C)=O)c1ccccc1)c(cc1)c2cc1Br)=O

InChI

InChI=1S/C30H22Br2N2O2/c1-19(35)33-27-15-13-23(31)17-25(27)30(22-11-7-4-8-12-22)29(33,21-9-5-3-6-10-21)26-18-24(32)14-16-28(26)34(30)20(2)36/h3-18H,1-2H3

InChI Key

DEOFZZUGFNOIBM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00222165

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

602.32

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

7.298

Distribution Coefficient, logD

7.298

Water Solubility, LogSw

-5.86

Polar Surface Area

30.280

Acid Dissociation Constant (pKa)

22.52

Base Dissociation Constant (pKb)

-9.52

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

13.30

References: we are preparing a list of scientific research reports with 0590-0470 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0590-0470?
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What is the minimum amount of 0590-0470 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0590-0470
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0590-0470
  • 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 0590-0470 available by request