8018-7154 Screening compound: 4-[4-(2-amino-2-oxoethoxy)phenyl]-N~3~,2-dimethyl-1,4-dihydropyrimido[1,2-a][1,3]benzimidazole-3-carboxamide

8018-7154 Screening compound: 4-[4-(2-amino-2-oxoethoxy)phenyl]-N~3~,2-dimethyl-1,4-dihydropyrimido[1,2-a][1,3]benzimidazole-3-carboxamide
8018-7154 Screening compound: 4-[4-(2-amino-2-oxoethoxy)phenyl]-N~3~,2-dimethyl-1,4-dihydropyrimido[1,2-a][1,3]benzimidazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-7154
4-[4-(2-amino-2-oxoethoxy)phenyl]-N~3~,2-dimethyl-1,4-dihydropyrimido[1,2-a][1,3]benzimidazole-3-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

8018-7154

Molecular Formula

C21H21N5O3 (C21 H21 N5 O3)

Compound Name

4-[4-(2-amino-2-oxoethoxy)phenyl]-N~3~,2-dimethyl-1,4-dihydropyrimido[1,2-a][1,3]benzimidazole-3-carboxamide

IUPAC name

13-[4-(carbamoylmethoxy)phenyl]-N11-dimethyl-1810-triazatricyclo[7.4.0.0^{27}]trideca-246811-pentaene-12-carboxamide

SMILES

CC(Nc1nc(cccc2)c2n1C1c(cc2)ccc2OCC(N)=O)=C1C(NC)=O

InChI

InChI=1S/C21H21N5O3/c1-12-18(20(28)23-2)19(13-7-9-14(10-8-13)29-11-17(22)27)26-16-6-4-3-5-15(16)25-21(26)24-12/h3-10,19H,11H2,1-2H3,(H2,22,27)(H,23,28)(H,24,25)/t19-/m0/s1

InChI Key

UNEOJQXCJUMYBC-IBGZPJMESA-N

MDL Number (MFCD)

MFCD08142676

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.493

Distribution Coefficient, logD

1.492

Water Solubility, LogSw

-2.05

Polar Surface Area

89.756

Acid Dissociation Constant (pKa)

10.28

Base Dissociation Constant (pKb)

1.95

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.00

8018-7154 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

Nucleic Acid Ligands (8311 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 8018-7154 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-7154?
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What is the minimum amount of 8018-7154 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-7154
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-7154
  • 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 8018-7154 available by request