C242-0815 Screening compound: 5,6-dimethyl-1-[(4-nitrophenyl)methyl]-3-phenyl-1H,2H,3H,4H-thieno[2,3-d]pyrimidine-2,4-dione

C242-0815 Screening compound: 5,6-dimethyl-1-[(4-nitrophenyl)methyl]-3-phenyl-1H,2H,3H,4H-thieno[2,3-d]pyrimidine-2,4-dione
C242-0815 Screening compound: 5,6-dimethyl-1-[(4-nitrophenyl)methyl]-3-phenyl-1H,2H,3H,4H-thieno[2,3-d]pyrimidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C242-0815
5,6-dimethyl-1-[(4-nitrophenyl)methyl]-3-phenyl-1H,2H,3H,4H-thieno[2,3-d]pyrimidine-2,4-dione

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

C242-0815

Molecular Formula

C21H17N3O4S (C21 H17 N3 O4 S)

Compound Name

5,6-dimethyl-1-[(4-nitrophenyl)methyl]-3-phenyl-1H,2H,3H,4H-thieno[2,3-d]pyrimidine-2,4-dione

IUPAC name

56-dimethyl-1-[(4-nitrophenyl)methyl]-3-phenyl-1H2H3H4H-thieno[23-d]pyrimidine-24-dione

SMILES

Cc1c(C)sc(N(Cc(cc2)ccc2[N+]([O-])=O)C(N2c3ccccc3)=O)c1C2=O

InChI

InChI=1S/C21H17N3O4S/c1-13-14(2)29-20-18(13)19(25)23(16-6-4-3-5-7-16)21(26)22(20)12-15-8-10-17(11-9-15)24(27)28/h3-11H,12H2,1-2H3

InChI Key

YDJMSRFLGWXQNE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14735047

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.403

Distribution Coefficient, logD

4.403

Water Solubility, LogSw

-4.49

Polar Surface Area

64.488

Acid Dissociation Constant (pKa)

27.05

Base Dissociation Constant (pKb)

-9.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

References: we are preparing a list of scientific research reports with C242-0815 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C242-0815?
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What is the minimum amount of C242-0815 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C242-0815
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C242-0815
  • 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 C242-0815 available by request