E002-1945 Screening compound: ethyl 2-[1-({6-methyl-1-propyl-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine-2-carbonyl}amino)cyclohexyl]acetate

E002-1945 Screening compound: ethyl 2-[1-({6-methyl-1-propyl-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine-2-carbonyl}amino)cyclohexyl]acetate
E002-1945 Screening compound: ethyl 2-[1-({6-methyl-1-propyl-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine-2-carbonyl}amino)cyclohexyl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound E002-1945
ethyl 2-[1-({6-methyl-1-propyl-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine-2-carbonyl}amino)cyclohexyl]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

E002-1945

Molecular Formula

C22H35N3O3 (C22 H35 N3 O3)

Compound Name

ethyl 2-[1-({6-methyl-1-propyl-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine-2-carbonyl}amino)cyclohexyl]acetate

IUPAC name

ethyl 2-[1-({6-methyl-1-propyl-1H2H3H4H-pyrrolo[12-a]pyrazine-2-carbonyl}amino)cyclohexyl]acetate

SMILES

CCCC(c1ccc(C)n1CC1)N1C(NC1(CC(OCC)=O)CCCCC1)=O

InChI

InChI=1S/C22H35N3O3/c1-4-9-18-19-11-10-17(3)24(19)14-15-25(18)21(27)23-22(12-7-6-8-13-22)16-20(26)28-5-2/h10-11,18H,4-9,12-16H2,1-3H3,(H,23,27)/t18-/m0/s1

InChI Key

JHADBTYLODYSNY-SFHVURJKSA-N

MDL Number (MFCD)

MFCD14835641

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.54

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.238

Distribution Coefficient, logD

4.238

Water Solubility, LogSw

-3.99

Polar Surface Area

47.882

Acid Dissociation Constant (pKa)

16.81

Base Dissociation Constant (pKb)

1.87

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

72.70

E002-1945 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 E002-1945 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E002-1945?
Check Price and Availability of E002-1945, 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 E002-1945 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E002-1945
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E002-1945
  • 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 E002-1945 available by request