8017-6107 Screening compound: 3-{(Z)-1-[5-(4-bromophenyl)-2-furyl]methylidene}-1-[(4-methylphenyl)sulfonyl]-4,6-dinitro-1,2-dihydro-3H-indole

8017-6107 Screening compound: 3-{(Z)-1-[5-(4-bromophenyl)-2-furyl]methylidene}-1-[(4-methylphenyl)sulfonyl]-4,6-dinitro-1,2-dihydro-3H-indole
8017-6107 Screening compound: 3-{(Z)-1-[5-(4-bromophenyl)-2-furyl]methylidene}-1-[(4-methylphenyl)sulfonyl]-4,6-dinitro-1,2-dihydro-3H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-6107
3-{(Z)-1-[5-(4-bromophenyl)-2-furyl]methylidene}-1-[(4-methylphenyl)sulfonyl]-4,6-dinitro-1,2-dihydro-3H-indole

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

8017-6107

Molecular Formula

C26H18BrN3O7S (C26 H18 BrN3 O7 S)

Compound Name

3-{(Z)-1-[5-(4-bromophenyl)-2-furyl]methylidene}-1-[(4-methylphenyl)sulfonyl]-4,6-dinitro-1,2-dihydro-3H-indole

IUPAC name

(3Z)-3-{[5-(4-bromophenyl)furan-2-yl]methylidene}-1-(4-methylbenzenesulfonyl)-46-dinitro-23-dihydro-1H-indole

SMILES

Cc(cc1)ccc1S(N(C1)c2cc([N+]([O-])=O)cc([N+]([O-])=O)c2/C1=C/c1ccc(-c(cc2)ccc2Br)o1)(=O)=O

InChI

InChI=1S/C26H18BrN3O7S/c1-16-2-9-22(10-3-16)38(35,36)28-15-18(26-23(28)13-20(29(31)32)14-24(26)30(33)34)12-21-8-11-25(37-21)17-4-6-19(27)7-5-17/h2-14H,15H2,1H3

InChI Key

OWHWVXIYSBYUIV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06616884

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

596.41

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

7.027

Distribution Coefficient, logD

7.027

Water Solubility, LogSw

-5.82

Polar Surface Area

105.451

Acid Dissociation Constant (pKa)

28.37

Base Dissociation Constant (pKb)

-17.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.69

References: we are preparing a list of scientific research reports with 8017-6107 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-6107?
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What is the minimum amount of 8017-6107 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-6107
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-6107
  • 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 8017-6107 available by request