8137-0002 Screening compound: ethyl 3-{2-[N'-(5-chloro-2-methoxyphenyl)carbamimidamido]-4-methyl-6-oxo-1,6-dihydropyrimidin-5-yl}propanoate

8137-0002 Screening compound: ethyl 3-{2-[N'-(5-chloro-2-methoxyphenyl)carbamimidamido]-4-methyl-6-oxo-1,6-dihydropyrimidin-5-yl}propanoate
8137-0002 Screening compound: ethyl 3-{2-[N'-(5-chloro-2-methoxyphenyl)carbamimidamido]-4-methyl-6-oxo-1,6-dihydropyrimidin-5-yl}propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8137-0002
ethyl 3-{2-[N'-(5-chloro-2-methoxyphenyl)carbamimidamido]-4-methyl-6-oxo-1,6-dihydropyrimidin-5-yl}propanoate

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

8137-0002

Molecular Formula

C18H22ClN5O4 (C18 H22 ClN5 O4)

Compound Name

ethyl 3-{2-[N'-(5-chloro-2-methoxyphenyl)carbamimidamido]-4-methyl-6-oxo-1,6-dihydropyrimidin-5-yl}propanoate

IUPAC name

ethyl 3-{2-[N'-(5-chloro-2-methoxyphenyl)carbamimidamido]-4-methyl-6-oxo-16-dihydropyrimidin-5-yl}propanoate

SMILES

CCOC(CCC1=C(C)N=C(NC(Nc(cc(cc2)Cl)c2OC)=N)NC1=O)=O

InChI

InChI=1S/C18H22ClN5O4/c1-4-28-15(25)8-6-12-10(2)21-18(23-16(12)26)24-17(20)22-13-9-11(19)5-7-14(13)27-3/h5,7,9H,4,6,8H2,1-3H3,(H4,20,21,22,23,24,26)

InChI Key

YQONOIQZJOHZIW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06650045

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.86

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.600

Distribution Coefficient, logD

2.350

Water Solubility, LogSw

-3.45

Polar Surface Area

98.995

Acid Dissociation Constant (pKa)

8.54

Base Dissociation Constant (pKb)

7.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

8137-0002 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 8137-0002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8137-0002?
Check Price and Availability of 8137-0002, 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 8137-0002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8137-0002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8137-0002
  • 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 8137-0002 available by request