G331-0213 Screening compound: 1-(adamantan-1-yl)-3-({1-[(3-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)urea

G331-0213 Screening compound: 1-(adamantan-1-yl)-3-({1-[(3-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)urea
G331-0213 Screening compound: 1-(adamantan-1-yl)-3-({1-[(3-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound G331-0213
1-(adamantan-1-yl)-3-({1-[(3-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)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

G331-0213

Molecular Formula

C23H28FN3O (C23 H28 FN3 O)

Compound Name

1-(adamantan-1-yl)-3-({1-[(3-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)urea

IUPAC name

1-(adamantan-1-yl)-3-({1-[(3-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)urea

SMILES

O=C(NCc1cccn1Cc1cccc(F)c1)NC1(CC(C2)C3)CC3CC2C1

InChI

InChI=1S/C23H28FN3O/c24-20-4-1-3-16(10-20)15-27-6-2-5-21(27)14-25-22(28)26-23-11-17-7-18(12-23)9-19(8-17)13-23/h1-6,10,17-19H,7-9,11-15H2,(H2,25,26,28)

InChI Key

BGXAOLFYTAWEQK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15141808

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.49

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.671

Distribution Coefficient, logD

4.671

Water Solubility, LogSw

-4.77

Polar Surface Area

36.952

Acid Dissociation Constant (pKa)

15.15

Base Dissociation Constant (pKb)

1.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.20

G331-0213 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

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

CORONAVIRUS Library (20774 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with G331-0213 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G331-0213?
Check Price and Availability of G331-0213, 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 G331-0213 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G331-0213
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G331-0213
  • 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 G331-0213 available by request