S272-1837 Screening compound: 2-{[1-(3,4-dimethoxyphenyl)ethyl]amino}-4-propyl-5-pyrimidinecarboxylic acid

S272-1837 Screening compound: 2-{[1-(3,4-dimethoxyphenyl)ethyl]amino}-4-propyl-5-pyrimidinecarboxylic acid
S272-1837 Screening compound: 2-{[1-(3,4-dimethoxyphenyl)ethyl]amino}-4-propyl-5-pyrimidinecarboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound S272-1837
2-{[1-(3,4-dimethoxyphenyl)ethyl]amino}-4-propyl-5-pyrimidinecarboxylic acid

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

S272-1837

Molecular Formula

C18H23N3O4 (C18 H23 N3 O4)

Compound Name

2-{[1-(3,4-dimethoxyphenyl)ethyl]amino}-4-propyl-5-pyrimidinecarboxylic acid

IUPAC name

2-{[1-(34-dimethoxyphenyl)ethyl]amino}-4-propylpyrimidine-5-carboxylic acid

SMILES

CCCc(nc(NC(C)c(cc1)cc(OC)c1OC)nc1)c1C(O)=O

InChI

InChI=1S/C18H23N3O4/c1-5-6-14-13(17(22)23)10-19-18(21-14)20-11(2)12-7-8-15(24-3)16(9-12)25-4/h7-11H,5-6H2,1-4H3,(H,22,23)(H,19,20,21)/t11-/m0/s1

InChI Key

WCCXMNKVAYIQFL-NSHDSACASA-N

MDL Number (MFCD)

MFCD28995764

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

345.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.174

Distribution Coefficient, logD

2.079

Water Solubility, LogSw

-3.19

Polar Surface Area

74.798

Acid Dissociation Constant (pKa)

6.34

Base Dissociation Constant (pKb)

7.71

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.89

S272-1837 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with S272-1837 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S272-1837?
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What is the minimum amount of S272-1837 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S272-1837
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S272-1837
  • 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 S272-1837 available by request