K305-0434 Screening compound: N,N,5-trimethyl-3-(2-nitrophenyl)-1-[(4-nitrophenyl)methyl]-2,4-dioxo-1H,2H,3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide

K305-0434 Screening compound: N,N,5-trimethyl-3-(2-nitrophenyl)-1-[(4-nitrophenyl)methyl]-2,4-dioxo-1H,2H,3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide
K305-0434 Screening compound: N,N,5-trimethyl-3-(2-nitrophenyl)-1-[(4-nitrophenyl)methyl]-2,4-dioxo-1H,2H,3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K305-0434
N,N,5-trimethyl-3-(2-nitrophenyl)-1-[(4-nitrophenyl)methyl]-2,4-dioxo-1H,2H,3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide

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

K305-0434

Molecular Formula

C23H19N5O7S (C23 H19 N5 O7 S)

Compound Name

N,N,5-trimethyl-3-(2-nitrophenyl)-1-[(4-nitrophenyl)methyl]-2,4-dioxo-1H,2H,3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide

IUPAC name

NN5-trimethyl-3-(2-nitrophenyl)-1-[(4-nitrophenyl)methyl]-24-dioxo-1H2H3H4H-thieno[23-d]pyrimidine-6-carboxamide

SMILES

Cc1c(C(N(C)C)=O)sc(N(Cc(cc2)ccc2[N+]([O-])=O)C(N2c(cccc3)c3[N+]([O-])=O)=O)c1C2=O

InChI

InChI=1S/C23H19N5O7S/c1-13-18-20(29)26(16-6-4-5-7-17(16)28(34)35)23(31)25(22(18)36-19(13)21(30)24(2)3)12-14-8-10-15(11-9-14)27(32)33/h4-11H,12H2,1-3H3

InChI Key

VPOHFEQFMUAHJQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15092977

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

509.5

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

3.119

Distribution Coefficient, logD

3.119

Water Solubility, LogSw

-3.50

Polar Surface Area

113.269

Acid Dissociation Constant (pKa)

26.58

Base Dissociation Constant (pKb)

-1.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

References: we are preparing a list of scientific research reports with K305-0434 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K305-0434?
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What is the minimum amount of K305-0434 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K305-0434
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K305-0434
  • 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 K305-0434 available by request