Y021-1932 Screening compound: N-[2-(5-chloro-1H-indol-3-yl)ethyl]-N'-(4,6-dimethyl-2-pyrimidinyl)-N''-(2-ethylbutanoyl)guanidine

Y021-1932 Screening compound: N-[2-(5-chloro-1H-indol-3-yl)ethyl]-N'-(4,6-dimethyl-2-pyrimidinyl)-N''-(2-ethylbutanoyl)guanidine
Y021-1932 Screening compound: N-[2-(5-chloro-1H-indol-3-yl)ethyl]-N'-(4,6-dimethyl-2-pyrimidinyl)-N''-(2-ethylbutanoyl)guanidine alternative view

Chemical Structure Depiction of ChemDiv screening compound Y021-1932
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-N'-(4,6-dimethyl-2-pyrimidinyl)-N''-(2-ethylbutanoyl)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

Y021-1932

Molecular Formula

C23H29ClN6O (C23 H29 ClN6 O)

Compound Name

N-[2-(5-chloro-1H-indol-3-yl)ethyl]-N'-(4,6-dimethyl-2-pyrimidinyl)-N''-(2-ethylbutanoyl)guanidine

IUPAC name

N-[(E)-{[2-(5-chloro-1H-indol-3-yl)ethyl]amino}[(46-dimethylpyrimidin-2-yl)amino]methylidene]-2-ethylbutanamide

SMILES

CCC(CC)C(/N=C(\NCCc1c[nH]c(cc2)c1cc2Cl)/Nc1nc(C)cc(C)n1)=O

InChI

InChI=1S/C23H29ClN6O/c1-5-16(6-2)21(31)29-22(30-23-27-14(3)11-15(4)28-23)25-10-9-17-13-26-20-8-7-18(24)12-19(17)20/h7-8,11-13,16,26H,5-6,9-10H2,1-4H3,(H2,25,27,28,29,30,31)

InChI Key

RZRMLPVKBAVNKJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07157375

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.98

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.540

Distribution Coefficient, logD

3.557

Water Solubility, LogSw

-4.54

Polar Surface Area

71.153

Acid Dissociation Constant (pKa)

8.97

Base Dissociation Constant (pKb)

8.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.13

References: we are preparing a list of scientific research reports with Y021-1932 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y021-1932?
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What is the minimum amount of Y021-1932 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y021-1932
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y021-1932
  • 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 Y021-1932 available by request