2187-0827 Screening compound: 6-bromo-2-[(2E)-2-{[4-(4-methylbenzenesulfonyl)-3-nitrophenyl]methylidene}hydrazin-1-yl]-4-phenylquinazoline

2187-0827 Screening compound: 6-bromo-2-[(2E)-2-{[4-(4-methylbenzenesulfonyl)-3-nitrophenyl]methylidene}hydrazin-1-yl]-4-phenylquinazoline
2187-0827 Screening compound: 6-bromo-2-[(2E)-2-{[4-(4-methylbenzenesulfonyl)-3-nitrophenyl]methylidene}hydrazin-1-yl]-4-phenylquinazoline alternative view

Chemical Structure Depiction of ChemDiv screening compound 2187-0827
6-bromo-2-[(2E)-2-{[4-(4-methylbenzenesulfonyl)-3-nitrophenyl]methylidene}hydrazin-1-yl]-4-phenylquinazoline

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

2187-0827

Molecular Formula

C28H20BrN5O4S (C28 H20 BrN5 O4 S)

Compound Name

6-bromo-2-[(2E)-2-{[4-(4-methylbenzenesulfonyl)-3-nitrophenyl]methylidene}hydrazin-1-yl]-4-phenylquinazoline

IUPAC name

6-bromo-2-[(2E)-2-{[4-(4-methylbenzenesulfonyl)-3-nitrophenyl]methylidene}hydrazin-1-yl]-4-phenylquinazoline

SMILES

Cc(cc1)ccc1S(c(ccc(/C=N/Nc1nc(-c2ccccc2)c(cc(cc2)Br)c2n1)c1)c1[N+]([O-])=O)(=O)=O

InChI

InChI=1S/C28H20BrN5O4S/c1-18-7-11-22(12-8-18)39(37,38)26-14-9-19(15-25(26)34(35)36)17-30-33-28-31-24-13-10-21(29)16-23(24)27(32-28)20-5-3-2-4-6-20/h2-17H,1H3,(H,31,32,33)

InChI Key

FGAWIYLCQLTMQF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01533002

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

602.47

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

7.476

Distribution Coefficient, logD

7.475

Water Solubility, LogSw

-5.88

Polar Surface Area

103.876

Acid Dissociation Constant (pKa)

15.02

Base Dissociation Constant (pKb)

4.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

3.60

2187-0827 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 2187-0827 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2187-0827?
Check Price and Availability of 2187-0827, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 2187-0827 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2187-0827
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2187-0827
  • 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 2187-0827 available by request