T161-0353 Screening compound: 3-{2-[1-(CYCLOPROPYLMETHYL)-5-METHYL-1H-IMIDAZOL-2-YL]ETHYL}-1-(3,4-DIMETHYLPHENYL)UREA

T161-0353 Screening compound: 3-{2-[1-(CYCLOPROPYLMETHYL)-5-METHYL-1H-IMIDAZOL-2-YL]ETHYL}-1-(3,4-DIMETHYLPHENYL)UREA
T161-0353 Screening compound: 3-{2-[1-(CYCLOPROPYLMETHYL)-5-METHYL-1H-IMIDAZOL-2-YL]ETHYL}-1-(3,4-DIMETHYLPHENYL)UREA alternative view

Chemical Structure Depiction of ChemDiv screening compound T161-0353
3-{2-[1-(CYCLOPROPYLMETHYL)-5-METHYL-1H-IMIDAZOL-2-YL]ETHYL}-1-(3,4-DIMETHYLPHENYL)UREA

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

T161-0353

Molecular Formula

C19H26N4O (C19 H26 N4 O)

Compound Name

3-{2-[1-(CYCLOPROPYLMETHYL)-5-METHYL-1H-IMIDAZOL-2-YL]ETHYL}-1-(3,4-DIMETHYLPHENYL)UREA

IUPAC name

n/a

SMILES

Cc1cnc(CCNC(Nc2cc(C)c(C)cc2)=O)n1CC1CC1

InChI

InChI=1S/C19H26N4O/c1-13-4-7-17(10-14(13)2)22-19(24)20-9-8-18-21-11-15(3)23(18)12-16-5-6-16/h4,7,10-11,16H,5-6,8-9,12H2,1-3H3,(H2,20,22,24)

InChI Key

QFTNLJJZUMBLRP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29016388

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

326.44

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.694

Distribution Coefficient, logD

3.153

Water Solubility, LogSw

-3.65

Polar Surface Area

46.389

Acid Dissociation Constant (pKa)

13.78

Base Dissociation Constant (pKb)

7.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.40

T161-0353 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with T161-0353 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T161-0353?
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What is the minimum amount of T161-0353 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T161-0353
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T161-0353
  • 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 T161-0353 available by request