C046-0173 Screening compound: N~1~-(5-chloro-2,4-dimethoxyphenyl)-4-({2-[4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl]acetyl}amino)butanamide

C046-0173 Screening compound: N~1~-(5-chloro-2,4-dimethoxyphenyl)-4-({2-[4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl]acetyl}amino)butanamide
C046-0173 Screening compound: N~1~-(5-chloro-2,4-dimethoxyphenyl)-4-({2-[4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl]acetyl}amino)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C046-0173
N~1~-(5-chloro-2,4-dimethoxyphenyl)-4-({2-[4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl]acetyl}amino)butanamide

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

C046-0173

Molecular Formula

C24H27ClN4O5S (C24 H27 ClN4 O5 S)

Compound Name

N~1~-(5-chloro-2,4-dimethoxyphenyl)-4-({2-[4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl]acetyl}amino)butanamide

IUPAC name

N-(5-chloro-24-dimethoxyphenyl)-4-(2-{3-oxo-8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)5-trien-4-yl}acetamido)butanamide

SMILES

COc(c(NC(CCCNC(CN(C=Nc1c2c(CCCC3)c3s1)C2=O)=O)=O)c1)cc(OC)c1Cl

InChI

InChI=1S/C24H27ClN4O5S/c1-33-17-11-18(34-2)16(10-15(17)25)28-20(30)8-5-9-26-21(31)12-29-13-27-23-22(24(29)32)14-6-3-4-7-19(14)35-23/h10-11,13H,3-9,12H2,1-2H3,(H,26,31)(H,28,30)

InChI Key

OJABBQBOSMJPCV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14713844

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

519.02

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.271

Distribution Coefficient, logD

2.256

Water Solubility, LogSw

-3.52

Polar Surface Area

88.187

Acid Dissociation Constant (pKa)

8.87

Base Dissociation Constant (pKb)

3.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

References: we are preparing a list of scientific research reports with C046-0173 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of C046-0173 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C046-0173
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C046-0173
  • 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 C046-0173 available by request