E201-0245 Screening compound: N~2~-(sec-butyl)-1,9-dimethyl-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide

E201-0245 Screening compound: N~2~-(sec-butyl)-1,9-dimethyl-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
E201-0245 Screening compound: N~2~-(sec-butyl)-1,9-dimethyl-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E201-0245
N~2~-(sec-butyl)-1,9-dimethyl-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide

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

E201-0245

Molecular Formula

C17H20N4O2 (C17 H20 N4 O2)

Compound Name

N~2~-(sec-butyl)-1,9-dimethyl-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide

IUPAC name

N-(butan-2-yl)-610-dimethyl-2-oxo-168-triazatricyclo[7.4.0.0^{37}]trideca-3(7)481012-pentaene-5-carboxamide

SMILES

CCC(C)NC(c(n1C)cc2c1N=C(C(C)=CC=C1)N1C2=O)=O

InChI

InChI=1S/C17H20N4O2/c1-5-11(3)18-16(22)13-9-12-15(20(13)4)19-14-10(2)7-6-8-21(14)17(12)23/h6-9,11H,5H2,1-4H3,(H,18,22)/t11-/m0/s1

InChI Key

FOYLGCGATQLGQW-NSHDSACASA-N

MDL Number (MFCD)

MFCD04153955

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

312.37

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.710

Distribution Coefficient, logD

1.710

Water Solubility, LogSw

-2.27

Polar Surface Area

50.550

Acid Dissociation Constant (pKa)

13.56

Base Dissociation Constant (pKb)

1.45

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.30

E201-0245 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E201-0245 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E201-0245?
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What is the minimum amount of E201-0245 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E201-0245
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E201-0245
  • 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 E201-0245 available by request