Y021-1990 Screening compound: 4-[bis(4-fluorophenyl)methyl]-N-(4,6-dimethyl-2-pyrimidinyl)tetrahydro-1(2H)-pyrazinecarboximidamide

Y021-1990 Screening compound: 4-[bis(4-fluorophenyl)methyl]-N-(4,6-dimethyl-2-pyrimidinyl)tetrahydro-1(2H)-pyrazinecarboximidamide
Y021-1990 Screening compound: 4-[bis(4-fluorophenyl)methyl]-N-(4,6-dimethyl-2-pyrimidinyl)tetrahydro-1(2H)-pyrazinecarboximidamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y021-1990
4-[bis(4-fluorophenyl)methyl]-N-(4,6-dimethyl-2-pyrimidinyl)tetrahydro-1(2H)-pyrazinecarboximidamide

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

Y021-1990

Molecular Formula

C24H26F2N6 (C24 H26 F2 N6)

Compound Name

4-[bis(4-fluorophenyl)methyl]-N-(4,6-dimethyl-2-pyrimidinyl)tetrahydro-1(2H)-pyrazinecarboximidamide

IUPAC name

4-[bis(4-fluorophenyl)methyl]-N-(46-dimethylpyrimidin-2-yl)piperazine-1-carboximidamide

SMILES

Cc1nc(NC(N(CC2)CCN2C(c(cc2)ccc2F)c(cc2)ccc2F)=N)nc(C)c1

InChI

InChI=1S/C24H26F2N6/c1-16-15-17(2)29-24(28-16)30-23(27)32-13-11-31(12-14-32)22(18-3-7-20(25)8-4-18)19-5-9-21(26)10-6-19/h3-10,15,22H,11-14H2,1-2H3,(H2,27,28,29,30)

InChI Key

YXDAEUNAMSEJGH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07181652

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.51

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.785

Distribution Coefficient, logD

-2.100

Water Solubility, LogSw

-3.85

Polar Surface Area

52.140

Acid Dissociation Constant (pKa)

14.83

Base Dissociation Constant (pKb)

10.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.17

Y021-1990 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y021-1990 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y021-1990?
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What is the minimum amount of Y021-1990 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y021-1990
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y021-1990
  • 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 Y021-1990 available by request