Y021-1563 Screening compound: N-(5-chloro-2-methoxyphenyl)-N'-(4,6-dimethyl-2-pyrimidinyl)-N''-(2-thienylcarbonyl)guanidine

Y021-1563 Screening compound: N-(5-chloro-2-methoxyphenyl)-N'-(4,6-dimethyl-2-pyrimidinyl)-N''-(2-thienylcarbonyl)guanidine
Y021-1563 Screening compound: N-(5-chloro-2-methoxyphenyl)-N'-(4,6-dimethyl-2-pyrimidinyl)-N''-(2-thienylcarbonyl)guanidine alternative view

Chemical Structure Depiction of ChemDiv screening compound Y021-1563
N-(5-chloro-2-methoxyphenyl)-N'-(4,6-dimethyl-2-pyrimidinyl)-N''-(2-thienylcarbonyl)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

Y021-1563

Molecular Formula

C19H18ClN5O2S (C19 H18 ClN5 O2 S)

Compound Name

N-(5-chloro-2-methoxyphenyl)-N'-(4,6-dimethyl-2-pyrimidinyl)-N''-(2-thienylcarbonyl)guanidine

IUPAC name

N-[(Z)-[(5-chloro-2-methoxyphenyl)amino][(46-dimethylpyrimidin-2-yl)amino]methylidene]thiophene-2-carboxamide

SMILES

Cc1nc(N/C(/Nc(cc(cc2)Cl)c2OC)=N\C(c2cccs2)=O)nc(C)c1

InChI

InChI=1S/C19H18ClN5O2S/c1-11-9-12(2)22-18(21-11)25-19(24-17(26)16-5-4-8-28-16)23-14-10-13(20)6-7-15(14)27-3/h4-10H,1-3H3,(H2,21,22,23,24,25,26)

InChI Key

GRRVQOYHWDXMGK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03296442

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.9

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.005

Distribution Coefficient, logD

3.349

Water Solubility, LogSw

-4.43

Polar Surface Area

67.798

Acid Dissociation Constant (pKa)

10.25

Base Dissociation Constant (pKb)

7.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.79

References: we are preparing a list of scientific research reports with Y021-1563 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y021-1563?
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What is the minimum amount of Y021-1563 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y021-1563
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y021-1563
  • 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 Y021-1563 available by request