6359-0070 Screening compound: methyl 2-(6-oxo-2-{N'-[4-(propan-2-yl)phenyl]carbamimidamido}-3,6-dihydropyrimidin-4-yl)acetate

6359-0070 Screening compound: methyl 2-(6-oxo-2-{N'-[4-(propan-2-yl)phenyl]carbamimidamido}-3,6-dihydropyrimidin-4-yl)acetate
6359-0070 Screening compound: methyl 2-(6-oxo-2-{N'-[4-(propan-2-yl)phenyl]carbamimidamido}-3,6-dihydropyrimidin-4-yl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6359-0070
methyl 2-(6-oxo-2-{N'-[4-(propan-2-yl)phenyl]carbamimidamido}-3,6-dihydropyrimidin-4-yl)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

6359-0070

Molecular Formula

C17H21N5O3 (C17 H21 N5 O3)

Compound Name

methyl 2-(6-oxo-2-{N'-[4-(propan-2-yl)phenyl]carbamimidamido}-3,6-dihydropyrimidin-4-yl)acetate

IUPAC name

methyl 2-(6-oxo-2-{N'-[4-(propan-2-yl)phenyl]carbamimidamido}-36-dihydropyrimidin-4-yl)acetate

SMILES

CC(C)c(cc1)ccc1NC(NC(NC(CC(OC)=O)=C1)=NC1=O)=N

InChI

InChI=1S/C17H21N5O3/c1-10(2)11-4-6-12(7-5-11)19-16(18)22-17-20-13(8-14(23)21-17)9-15(24)25-3/h4-8,10H,9H2,1-3H3,(H4,18,19,20,21,22,23)

InChI Key

VXXLOSYSEPGXHI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03871847

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

343.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.386

Distribution Coefficient, logD

0.787

Water Solubility, LogSw

-3.01

Polar Surface Area

93.237

Acid Dissociation Constant (pKa)

7.04

Base Dissociation Constant (pKb)

9.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

6359-0070 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 6359-0070 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6359-0070?
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What is the minimum amount of 6359-0070 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6359-0070
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6359-0070
  • 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 6359-0070 available by request