8017-7137 Screening compound: methyl 2-(2-{[6-amino-4-oxo-1-(prop-2-en-1-yl)-1,4-dihydropyrimidin-2-yl]sulfanyl}acetamido)-2-phenylacetate

8017-7137 Screening compound: methyl 2-(2-{[6-amino-4-oxo-1-(prop-2-en-1-yl)-1,4-dihydropyrimidin-2-yl]sulfanyl}acetamido)-2-phenylacetate
8017-7137 Screening compound: methyl 2-(2-{[6-amino-4-oxo-1-(prop-2-en-1-yl)-1,4-dihydropyrimidin-2-yl]sulfanyl}acetamido)-2-phenylacetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-7137
methyl 2-(2-{[6-amino-4-oxo-1-(prop-2-en-1-yl)-1,4-dihydropyrimidin-2-yl]sulfanyl}acetamido)-2-phenylacetate

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

8017-7137

Molecular Formula

C18H20N4O4S (C18 H20 N4 O4 S)

Compound Name

methyl 2-(2-{[6-amino-4-oxo-1-(prop-2-en-1-yl)-1,4-dihydropyrimidin-2-yl]sulfanyl}acetamido)-2-phenylacetate

IUPAC name

methyl 2-(2-{[6-amino-4-oxo-1-(prop-2-en-1-yl)-14-dihydropyrimidin-2-yl]sulfanyl}acetamido)-2-phenylacetate

SMILES

COC(C(c1ccccc1)NC(CSC(N(CC=C)C(N)=C1)=NC1=O)=O)=O

InChI

InChI=1S/C18H20N4O4S/c1-3-9-22-13(19)10-14(23)21-18(22)27-11-15(24)20-16(17(25)26-2)12-7-5-4-6-8-12/h3-8,10,16H,1,9,11,19H2,2H3,(H,20,24)/t16-/m1/s1

InChI Key

MIUXDCJBYOEENP-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD06617641

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.45

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.517

Distribution Coefficient, logD

0.517

Water Solubility, LogSw

-1.98

Polar Surface Area

90.060

Acid Dissociation Constant (pKa)

12.16

Base Dissociation Constant (pKb)

4.26

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

References: we are preparing a list of scientific research reports with 8017-7137 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-7137?
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What is the minimum amount of 8017-7137 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-7137
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-7137
  • 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 8017-7137 available by request