Y021-1699 Screening compound: ethyl 2-(2-{[(3,5-dimethoxyanilino)(imino)methyl]amino}-6-oxo-1,6-dihydro-4-pyrimidinyl)acetate

Y021-1699 Screening compound: ethyl 2-(2-{[(3,5-dimethoxyanilino)(imino)methyl]amino}-6-oxo-1,6-dihydro-4-pyrimidinyl)acetate
Y021-1699 Screening compound: ethyl 2-(2-{[(3,5-dimethoxyanilino)(imino)methyl]amino}-6-oxo-1,6-dihydro-4-pyrimidinyl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y021-1699
ethyl 2-(2-{[(3,5-dimethoxyanilino)(imino)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

Y021-1699

Molecular Formula

C17H21N5O5 (C17 H21 N5 O5)

Compound Name

ethyl 2-(2-{[(3,5-dimethoxyanilino)(imino)methyl]amino}-6-oxo-1,6-dihydro-4-pyrimidinyl)acetate

IUPAC name

ethyl 2-{2-[N'-(35-dimethoxyphenyl)carbamimidamido]-6-oxo-16-dihydropyrimidin-4-yl}acetate

SMILES

CCOC(CC(N=C(NC(Nc1cc(OC)cc(OC)c1)=N)N1)=CC1=O)=O

InChI

InChI=1S/C17H21N5O5/c1-4-27-15(24)8-11-7-14(23)21-17(20-11)22-16(18)19-10-5-12(25-2)9-13(6-10)26-3/h5-7,9H,4,8H2,1-3H3,(H4,18,19,20,21,22,23)

InChI Key

YXXMARMYCTYSBS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08718896

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.38

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.714

Distribution Coefficient, logD

1.565

Water Solubility, LogSw

-2.35

Polar Surface Area

107.904

Acid Dissociation Constant (pKa)

9.31

Base Dissociation Constant (pKb)

6.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.41

Y021-1699 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 Y021-1699 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y021-1699?
Check Price and Availability of Y021-1699, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of Y021-1699 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y021-1699
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y021-1699
  • 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 Y021-1699 available by request