C712-1105 Screening compound: 1-benzyl-4-{4H-thieno[3,2-c]chromene-2-carbonyl}piperazine

C712-1105 Screening compound: 1-benzyl-4-{4H-thieno[3,2-c]chromene-2-carbonyl}piperazine
C712-1105 Screening compound: 1-benzyl-4-{4H-thieno[3,2-c]chromene-2-carbonyl}piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound C712-1105
1-benzyl-4-{4H-thieno[3,2-c]chromene-2-carbonyl}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

C712-1105

Molecular Formula

C23H22N2O2S (C23 H22 N2 O2 S)

Compound Name

1-benzyl-4-{4H-thieno[3,2-c]chromene-2-carbonyl}piperazine

IUPAC name

1-benzyl-4-{4H-thieno[32-c]chromene-2-carbonyl}piperazine

SMILES

O=C(c1cc(COc2c-3cccc2)c3s1)N1CCN(Cc2ccccc2)CC1

InChI

InChI=1S/C23H22N2O2S/c26-23(25-12-10-24(11-13-25)15-17-6-2-1-3-7-17)21-14-18-16-27-20-9-5-4-8-19(20)22(18)28-21/h1-9,14H,10-13,15-16H2

InChI Key

LDYRVJBOXKQPOC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10860440

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.51

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.946

Distribution Coefficient, logD

3.931

Water Solubility, LogSw

-4.07

Polar Surface Area

29.544

Acid Dissociation Constant (pKa)

25.02

Base Dissociation Constant (pKb)

5.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

C712-1105 in Drug Discovery

Included in Screening Libraries

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

PD-1/L1 Library (498 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with C712-1105 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C712-1105?
Check Price and Availability of C712-1105, 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 C712-1105 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C712-1105
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C712-1105
  • 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 C712-1105 available by request