0627-0099 Screening compound: 2,5-bis(4-nitrophenyl)-3,4-diphenylthiophene

0627-0099 Screening compound: 2,5-bis(4-nitrophenyl)-3,4-diphenylthiophene
0627-0099 Screening compound: 2,5-bis(4-nitrophenyl)-3,4-diphenylthiophene alternative view

Chemical Structure Depiction of ChemDiv screening compound 0627-0099
2,5-bis(4-nitrophenyl)-3,4-diphenylthiophene

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

0627-0099

Molecular Formula

C28H18N2O4S (C28 H18 N2 O4 S)

Compound Name

2,5-bis(4-nitrophenyl)-3,4-diphenylthiophene

IUPAC name

25-bis(4-nitrophenyl)-34-diphenylthiophene

SMILES

[O-][N+](c(cc1)ccc1-c(sc(-c(cc1)ccc1[N+]([O-])=O)c1-c2ccccc2)c1-c1ccccc1)=O

InChI

InChI=1S/C28H18N2O4S/c31-29(32)23-15-11-21(12-16-23)27-25(19-7-3-1-4-8-19)26(20-9-5-2-6-10-20)28(35-27)22-13-17-24(18-14-22)30(33)34/h1-18H

InChI Key

ZKHMOKXRSFHHFD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00184133

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

8.494

Distribution Coefficient, logD

8.494

Water Solubility, LogSw

-6.68

Polar Surface Area

66.934

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

0627-0099 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0627-0099 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0627-0099?
Check Price and Availability of 0627-0099, 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 0627-0099 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0627-0099
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0627-0099
  • 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 0627-0099 available by request