D641-0117 Screening compound: 3-{3-[(4-chlorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}-N-(prop-2-en-1-yl)benzamide

D641-0117 Screening compound: 3-{3-[(4-chlorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}-N-(prop-2-en-1-yl)benzamide
D641-0117 Screening compound: 3-{3-[(4-chlorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}-N-(prop-2-en-1-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D641-0117
3-{3-[(4-chlorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}-N-(prop-2-en-1-yl)benzamide

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

D641-0117

Molecular Formula

C21H22ClN3O2 (C21 H22 ClN3 O2)

Compound Name

3-{3-[(4-chlorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}-N-(prop-2-en-1-yl)benzamide

IUPAC name

3-{3-[(4-chlorophenyl)methyl]-2-oxo-13-diazinan-1-yl}-N-(prop-2-en-1-yl)benzamide

SMILES

C=CCNC(c1cccc(N(CCCN2Cc(cc3)ccc3Cl)C2=O)c1)=O

InChI

InChI=1S/C21H22ClN3O2/c1-2-11-23-20(26)17-5-3-6-19(14-17)25-13-4-12-24(21(25)27)15-16-7-9-18(22)10-8-16/h2-3,5-10,14H,1,4,11-13,15H2,(H,23,26)

InChI Key

XMMJESMNHDNOBZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14834186

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.88

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.427

Distribution Coefficient, logD

3.427

Water Solubility, LogSw

-3.86

Polar Surface Area

44.323

Acid Dissociation Constant (pKa)

13.04

Base Dissociation Constant (pKb)

-1.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

References: we are preparing a list of scientific research reports with D641-0117 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D641-0117?
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What is the minimum amount of D641-0117 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D641-0117
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D641-0117
  • 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 D641-0117 available by request