C066-2375 Screening compound: N-(2-methyl-3-nitrophenyl)-2-(6-methyl-4-oxo-5-{[4-(pyrimidin-2-yl)piperazin-1-yl]sulfonyl}-3H,4H-thieno[2,3-d]pyrimidin-3-yl)acetamide

C066-2375 Screening compound: N-(2-methyl-3-nitrophenyl)-2-(6-methyl-4-oxo-5-{[4-(pyrimidin-2-yl)piperazin-1-yl]sulfonyl}-3H,4H-thieno[2,3-d]pyrimidin-3-yl)acetamide
C066-2375 Screening compound: N-(2-methyl-3-nitrophenyl)-2-(6-methyl-4-oxo-5-{[4-(pyrimidin-2-yl)piperazin-1-yl]sulfonyl}-3H,4H-thieno[2,3-d]pyrimidin-3-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-2375
N-(2-methyl-3-nitrophenyl)-2-(6-methyl-4-oxo-5-{[4-(pyrimidin-2-yl)piperazin-1-yl]sulfonyl}-3H,4H-thieno[2,3-d]pyrimidin-3-yl)acetamide

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

C066-2375

Molecular Formula

C24H24N8O6S2 (C24 H24 N8 O6 S2)

Compound Name

N-(2-methyl-3-nitrophenyl)-2-(6-methyl-4-oxo-5-{[4-(pyrimidin-2-yl)piperazin-1-yl]sulfonyl}-3H,4H-thieno[2,3-d]pyrimidin-3-yl)acetamide

IUPAC name

N-(2-methyl-3-nitrophenyl)-2-(6-methyl-4-oxo-5-{[4-(pyrimidin-2-yl)piperazin-1-yl]sulfonyl}-3H4H-thieno[23-d]pyrimidin-3-yl)acetamide

SMILES

Cc(sc(N=CN1CC(Nc2c(C)c([N+]([O-])=O)ccc2)=O)c2C1=O)c2S(N(CC1)CCN1c1ncccn1)(=O)=O

InChI

InChI=1S/C24H24N8O6S2/c1-15-17(5-3-6-18(15)32(35)36)28-19(33)13-30-14-27-22-20(23(30)34)21(16(2)39-22)40(37,38)31-11-9-29(10-12-31)24-25-7-4-8-26-24/h3-8,14H,9-13H2,1-2H3,(H,28,33)

InChI Key

HRUZODNFRNPDBD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14715327

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

584.64

Hydrogen Bond Acceptors Count

16.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

14

Partition Coefficient, logP

2.022

Distribution Coefficient, logD

2.021

Water Solubility, LogSw

-2.74

Polar Surface Area

135.107

Acid Dissociation Constant (pKa)

10.08

Base Dissociation Constant (pKb)

3.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

C066-2375 in Drug Discovery

Included in Screening Libraries

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

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C066-2375 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-2375?
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What is the minimum amount of C066-2375 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-2375
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-2375
  • 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 C066-2375 available by request