C303-0046 Screening compound: 1-{7-METHYLTHIENO[2,3-B]QUINOLINE-2-CARBONYL}-4-(4-NITROPHENYL)PIPERAZINE

C303-0046 Screening compound: 1-{7-METHYLTHIENO[2,3-B]QUINOLINE-2-CARBONYL}-4-(4-NITROPHENYL)PIPERAZINE
C303-0046 Screening compound: 1-{7-METHYLTHIENO[2,3-B]QUINOLINE-2-CARBONYL}-4-(4-NITROPHENYL)PIPERAZINE alternative view

Chemical Structure Depiction of ChemDiv screening compound C303-0046
1-{7-METHYLTHIENO[2,3-B]QUINOLINE-2-CARBONYL}-4-(4-NITROPHENYL)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

C303-0046

Molecular Formula

C23H20N4O3S (C23 H20 N4 O3 S)

Compound Name

1-{7-METHYLTHIENO[2,3-B]QUINOLINE-2-CARBONYL}-4-(4-NITROPHENYL)PIPERAZINE

IUPAC name

n/a

SMILES

Cc1ccc(cc(cc(C(N(CC2)CCN2c(cc2)ccc2[N+]([O-])=O)=O)s2)c2n2)c2c1

InChI

InChI=1S/C23H20N4O3S/c1-15-2-3-16-13-17-14-21(31-22(17)24-20(16)12-15)23(28)26-10-8-25(9-11-26)18-4-6-19(7-5-18)27(29)30/h2-7,12-14H,8-11H2,1H3

InChI Key

JBTIMMPDKSGXCL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14746309

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.376

Distribution Coefficient, logD

5.376

Water Solubility, LogSw

-5.73

Polar Surface Area

62.964

Acid Dissociation Constant (pKa)

27.72

Base Dissociation Constant (pKb)

4.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

C303-0046 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C303-0046 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C303-0046?
Check Price and Availability of C303-0046, 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 C303-0046 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C303-0046
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C303-0046
  • 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 C303-0046 available by request