Y021-1680 Screening compound: methyl 2-(2-{[imino(1-naphthylamino)methyl]amino}-6-oxo-1,6-dihydro-4-pyrimidinyl)acetate

Y021-1680 Screening compound: methyl 2-(2-{[imino(1-naphthylamino)methyl]amino}-6-oxo-1,6-dihydro-4-pyrimidinyl)acetate
Y021-1680 Screening compound: methyl 2-(2-{[imino(1-naphthylamino)methyl]amino}-6-oxo-1,6-dihydro-4-pyrimidinyl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y021-1680
methyl 2-(2-{[imino(1-naphthylamino)methyl]amino}-6-oxo-1,6-dihydro-4-pyrimidinyl)acetate

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

Y021-1680

Molecular Formula

C18H17N5O3 (C18 H17 N5 O3)

Compound Name

methyl 2-(2-{[imino(1-naphthylamino)methyl]amino}-6-oxo-1,6-dihydro-4-pyrimidinyl)acetate

IUPAC name

methyl 2-{2-[N'-(naphthalen-1-yl)carbamimidamido]-6-oxo-16-dihydropyrimidin-4-yl}acetate

SMILES

COC(CC(N=C(NC(Nc1cccc2ccccc12)=N)N1)=CC1=O)=O

InChI

InChI=1S/C18H17N5O3/c1-26-16(25)10-12-9-15(24)22-18(20-12)23-17(19)21-14-8-4-6-11-5-2-3-7-13(11)14/h2-9H,10H2,1H3,(H4,19,20,21,22,23,24)

InChI Key

XYMMOJDWIDWXDS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08709156

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.36

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.738

Distribution Coefficient, logD

0.982

Water Solubility, LogSw

-2.47

Polar Surface Area

92.267

Acid Dissociation Constant (pKa)

9.31

Base Dissociation Constant (pKb)

8.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.11

Y021-1680 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with Y021-1680 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y021-1680?
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What is the minimum amount of Y021-1680 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y021-1680
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y021-1680
  • 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 Y021-1680 available by request