C046-0069 Screening compound: N~1~-isopropyl-3-({2-[4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl]acetyl}amino)propanamide

C046-0069 Screening compound: N~1~-isopropyl-3-({2-[4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl]acetyl}amino)propanamide
C046-0069 Screening compound: N~1~-isopropyl-3-({2-[4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl]acetyl}amino)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C046-0069
N~1~-isopropyl-3-({2-[4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl]acetyl}amino)propanamide

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

C046-0069

Molecular Formula

C18H24N4O3S (C18 H24 N4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)NC(CCNC(CN(C=Nc1c2c(CCCC3)c3s1)C2=O)=O)=O

InChI

InChI=1S/C18H24N4O3S/c1-11(2)21-14(23)7-8-19-15(24)9-22-10-20-17-16(18(22)25)12-5-3-4-6-13(12)26-17/h10-11H,3-9H2,1-2H3,(H,19,24)(H,21,23)

InChI Key

KWIZMKHHBWCAJT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05026574

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.812

Distribution Coefficient, logD

0.812

Water Solubility, LogSw

-1.75

Polar Surface Area

74.192

Acid Dissociation Constant (pKa)

15.27

Base Dissociation Constant (pKb)

0.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.60

References: we are preparing a list of scientific research reports with C046-0069 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C046-0069?
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What is the minimum amount of C046-0069 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C046-0069
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C046-0069
  • 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 C046-0069 available by request