Y021-1637 Screening compound: N''-(3,5-dimethoxybenzoyl)-N-(4,6-dimethyl-2-pyrimidinyl)-N'-(2-fluorophenyl)guanidine

Y021-1637 Screening compound: N''-(3,5-dimethoxybenzoyl)-N-(4,6-dimethyl-2-pyrimidinyl)-N'-(2-fluorophenyl)guanidine
Y021-1637 Screening compound: N''-(3,5-dimethoxybenzoyl)-N-(4,6-dimethyl-2-pyrimidinyl)-N'-(2-fluorophenyl)guanidine alternative view

Chemical Structure Depiction of ChemDiv screening compound Y021-1637
N''-(3,5-dimethoxybenzoyl)-N-(4,6-dimethyl-2-pyrimidinyl)-N'-(2-fluorophenyl)guanidine

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

Y021-1637

Molecular Formula

C22H22FN5O3 (C22 H22 FN5 O3)

Compound Name

N''-(3,5-dimethoxybenzoyl)-N-(4,6-dimethyl-2-pyrimidinyl)-N'-(2-fluorophenyl)guanidine

IUPAC name

N-[(E)-[(46-dimethylpyrimidin-2-yl)amino][(2-fluorophenyl)amino]methylidene]-35-dimethoxybenzamide

SMILES

Cc1nc(N/C(/Nc(cccc2)c2F)=N/C(c2cc(OC)cc(OC)c2)=O)nc(C)c1

InChI

InChI=1S/C22H22FN5O3/c1-13-9-14(2)25-21(24-13)28-22(26-19-8-6-5-7-18(19)23)27-20(29)15-10-16(30-3)12-17(11-15)31-4/h5-12H,1-4H3,(H2,24,25,26,27,28,29)

InChI Key

CLJCERMIWMQKKC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04007932

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.801

Distribution Coefficient, logD

1.673

Water Solubility, LogSw

-4.03

Polar Surface Area

74.237

Acid Dissociation Constant (pKa)

9.86

Base Dissociation Constant (pKb)

9.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.18

References: we are preparing a list of scientific research reports with Y021-1637 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y021-1637?
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What is the minimum amount of Y021-1637 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y021-1637
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y021-1637
  • 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 Y021-1637 available by request