0833-0140 Screening compound: (7E)-2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(3-nitrophenyl)-7-[(3-nitrophenyl)methylidene]-3,3a,4,5,6,7-hexahydro-2H-indazole

0833-0140 Screening compound: (7E)-2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(3-nitrophenyl)-7-[(3-nitrophenyl)methylidene]-3,3a,4,5,6,7-hexahydro-2H-indazole
0833-0140 Screening compound: (7E)-2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(3-nitrophenyl)-7-[(3-nitrophenyl)methylidene]-3,3a,4,5,6,7-hexahydro-2H-indazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 0833-0140
(7E)-2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(3-nitrophenyl)-7-[(3-nitrophenyl)methylidene]-3,3a,4,5,6,7-hexahydro-2H-indazole

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

0833-0140

Molecular Formula

C29H22BrN5O4S (C29 H22 BrN5 O4 S)

Compound Name

(7E)-2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(3-nitrophenyl)-7-[(3-nitrophenyl)methylidene]-3,3a,4,5,6,7-hexahydro-2H-indazole

IUPAC name

(7E)-2-[4-(4-bromophenyl)-13-thiazol-2-yl]-3-(3-nitrophenyl)-7-[(3-nitrophenyl)methylidene]-33a4567-hexahydro-2H-indazole

SMILES

[O-][N+](c1cccc(C(C2CCC3)N(c4nc(-c(cc5)ccc5Br)cs4)N=C2/C3=C/c2cc([N+]([O-])=O)ccc2)c1)=O

InChI

InChI=1S/C29H22BrN5O4S/c30-22-12-10-19(11-13-22)26-17-40-29(31-26)33-28(21-6-2-8-24(16-21)35(38)39)25-9-3-5-20(27(25)32-33)14-18-4-1-7-23(15-18)34(36)37/h1-2,4,6-8,10-17,25,28H,3,5,9H2

InChI Key

OLXHDERNBBFXMA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00564661

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

616.49

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

9.207

Distribution Coefficient, logD

9.207

Water Solubility, LogSw

-6.32

Polar Surface Area

88.665

Acid Dissociation Constant (pKa)

13.39

Base Dissociation Constant (pKb)

1.52

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

17.20

References: we are preparing a list of scientific research reports with 0833-0140 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0833-0140?
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What is the minimum amount of 0833-0140 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0833-0140
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0833-0140
  • 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 0833-0140 available by request