C210-0109 Screening compound: N-[3-(azepan-1-yl)propyl]-2-(6-methyl-4-oxo-5-{[4-(pyrimidin-2-yl)piperazin-1-yl]sulfonyl}-3H,4H-thieno[2,3-d]pyrimidin-3-yl)acetamide

C210-0109 Screening compound: N-[3-(azepan-1-yl)propyl]-2-(6-methyl-4-oxo-5-{[4-(pyrimidin-2-yl)piperazin-1-yl]sulfonyl}-3H,4H-thieno[2,3-d]pyrimidin-3-yl)acetamide
C210-0109 Screening compound: N-[3-(azepan-1-yl)propyl]-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 C210-0109
N-[3-(azepan-1-yl)propyl]-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

C210-0109

Molecular Formula

C26H36N8O4S2 (C26 H36 N8 O4 S2)

Compound Name

N-[3-(azepan-1-yl)propyl]-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-[3-(azepan-1-yl)propyl]-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(NCCCN2CCCCCC2)=O)c2C1=O)c2S(N(CC1)CCN1c1ncccn1)(=O)=O

InChI

InChI=1S/C26H36N8O4S2/c1-20-23(40(37,38)34-16-14-32(15-17-34)26-28-8-6-9-29-26)22-24(39-20)30-19-33(25(22)36)18-21(35)27-10-7-13-31-11-4-2-3-5-12-31/h6,8-9,19H,2-5,7,10-18H2,1H3,(H,27,35)

InChI Key

QDGFPZKPMUIKAF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14732373

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

588.76

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

1.302

Distribution Coefficient, logD

-1.327

Water Solubility, LogSw

-2.16

Polar Surface Area

108.201

Acid Dissociation Constant (pKa)

15.94

Base Dissociation Constant (pKb)

10.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.70

C210-0109 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with C210-0109 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C210-0109?
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What is the minimum amount of C210-0109 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C210-0109
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C210-0109
  • 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 C210-0109 available by request