K257-0001 Screening compound: 2,7-bis(4-chlorophenyl)-5,10-di(2-thienyl)tetrahydropyrrolo[3,4-c]pyrrolo[3',4':4,5]pyrazolo[1,2-a]pyrazole-1,3,6,8(2H,3aH,5H,7H)-tetraone

K257-0001 Screening compound: 2,7-bis(4-chlorophenyl)-5,10-di(2-thienyl)tetrahydropyrrolo[3,4-c]pyrrolo[3',4':4,5]pyrazolo[1,2-a]pyrazole-1,3,6,8(2H,3aH,5H,7H)-tetraone
K257-0001 Screening compound: 2,7-bis(4-chlorophenyl)-5,10-di(2-thienyl)tetrahydropyrrolo[3,4-c]pyrrolo[3',4':4,5]pyrazolo[1,2-a]pyrazole-1,3,6,8(2H,3aH,5H,7H)-tetraone alternative view

Chemical Structure Depiction of ChemDiv screening compound K257-0001
2,7-bis(4-chlorophenyl)-5,10-di(2-thienyl)tetrahydropyrrolo[3,4-c]pyrrolo[3',4':4,5]pyrazolo[1,2-a]pyrazole-1,3,6,8(2H,3aH,5H,7H)-tetraone

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

K257-0001

Molecular Formula

C30H20Cl2N4O4S2 (C30 H20 Cl2 N4 O4 S2)

Compound Name

2,7-bis(4-chlorophenyl)-5,10-di(2-thienyl)tetrahydropyrrolo[3,4-c]pyrrolo[3',4':4,5]pyrazolo[1,2-a]pyrazole-1,3,6,8(2H,3aH,5H,7H)-tetraone

IUPAC name

411-bis(4-chlorophenyl)-714-bis(thiophen-2-yl)-14811-tetraazatetracyclo[6.6.0.0^{26}.0^{913}]tetradecane-351012-tetrone

SMILES

O=C(C(C1c2cccs2)C(C2=O)N(C(C3C(N4c(cc5)ccc5Cl)=O)c5cccs5)N1C3C4=O)N2c(cc1)ccc1Cl

InChI

InChI=1S/C30H20Cl2N4O4S2/c31-15-5-9-17(10-6-15)33-27(37)21-23(19-3-1-13-41-19)35-26-22(24(20-4-2-14-42-20)36(35)25(21)29(33)39)28(38)34(30(26)40)18-11-7-16(32)8-12-18/h1-14,21-26H

InChI Key

NDNZAYIUNKYHML-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03450256

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

635.55

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.458

Distribution Coefficient, logD

3.458

Water Solubility, LogSw

-3.90

Polar Surface Area

64.919

Acid Dissociation Constant (pKa)

13.45

Base Dissociation Constant (pKb)

-4.66

Number of Chiral Centers

6.00

Percent sp3 carbon bonding

20.00

K257-0001 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 K257-0001 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K257-0001?
Check Price and Availability of K257-0001, 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 K257-0001 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K257-0001
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K257-0001
  • 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 K257-0001 available by request