8012-4501 Screening compound: 1-benzoyl-4-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]piperazine

8012-4501 Screening compound: 1-benzoyl-4-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]piperazine
8012-4501 Screening compound: 1-benzoyl-4-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-4501
1-benzoyl-4-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]piperazine

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

8012-4501

Molecular Formula

C20H18N4O3S (C20 H18 N4 O3 S)

Compound Name

1-benzoyl-4-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]piperazine

IUPAC name

1-benzoyl-4-[4-(4-nitrophenyl)-13-thiazol-2-yl]piperazine

SMILES

[O-][N+](c(cc1)ccc1-c1csc(N(CC2)CCN2C(c2ccccc2)=O)n1)=O

InChI

InChI=1S/C20H18N4O3S/c25-19(16-4-2-1-3-5-16)22-10-12-23(13-11-22)20-21-18(14-28-20)15-6-8-17(9-7-15)24(26)27/h1-9,14H,10-13H2

InChI Key

POYBRXIEWRHAQS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01797320

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.249

Distribution Coefficient, logD

4.249

Water Solubility, LogSw

-4.32

Polar Surface Area

63.077

Acid Dissociation Constant (pKa)

23.50

Base Dissociation Constant (pKb)

3.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

8012-4501 in Drug Discovery

Included in Screening Libraries

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8012-4501 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-4501?
Check Price and Availability of 8012-4501, 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 8012-4501 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-4501
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-4501
  • 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 8012-4501 available by request