C210-0067 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(6-methyl-4-oxo-5-{[4-(pyrimidin-2-yl)piperazin-1-yl]sulfonyl}-3H,4H-thieno[2,3-d]pyrimidin-3-yl)acetamide

C210-0067 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(6-methyl-4-oxo-5-{[4-(pyrimidin-2-yl)piperazin-1-yl]sulfonyl}-3H,4H-thieno[2,3-d]pyrimidin-3-yl)acetamide
C210-0067 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-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 C210-0067
N-[2-(3,4-dimethoxyphenyl)ethyl]-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

C210-0067

Molecular Formula

C27H31N7O6S2 (C27 H31 N7 O6 S2)

Compound Name

N-[2-(3,4-dimethoxyphenyl)ethyl]-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-(34-dimethoxyphenyl)ethyl]-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(NCCc(cc2)cc(OC)c2OC)=O)c2C1=O)c2S(N(CC1)CCN1c1ncccn1)(=O)=O

InChI

InChI=1S/C27H31N7O6S2/c1-18-24(42(37,38)34-13-11-32(12-14-34)27-29-8-4-9-30-27)23-25(41-18)31-17-33(26(23)36)16-22(35)28-10-7-19-5-6-20(39-2)21(15-19)40-3/h4-6,8-9,15,17H,7,10-14,16H2,1-3H3,(H,28,35)

InChI Key

GSEWEYFOUOLLOO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14732346

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

613.72

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

13

Partition Coefficient, logP

0.954

Distribution Coefficient, logD

0.954

Water Solubility, LogSw

-2.63

Polar Surface Area

119.149

Acid Dissociation Constant (pKa)

14.80

Base Dissociation Constant (pKb)

3.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.00

C210-0067 in Drug Discovery

Included in Screening Libraries

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 C210-0067 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C210-0067?
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What is the minimum amount of C210-0067 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C210-0067
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C210-0067
  • 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 C210-0067 available by request