G331-0608 Screening compound: 1-(adamantan-1-yl)-3-({1-[(4-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)urea

G331-0608 Screening compound: 1-(adamantan-1-yl)-3-({1-[(4-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)urea
G331-0608 Screening compound: 1-(adamantan-1-yl)-3-({1-[(4-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound G331-0608
1-(adamantan-1-yl)-3-({1-[(4-chlorophenyl)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

G331-0608

Molecular Formula

C23H28ClN3O (C23 H28 ClN3 O)

Compound Name

1-(adamantan-1-yl)-3-({1-[(4-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)urea

IUPAC name

1-(adamantan-1-yl)-3-({1-[(4-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)urea

SMILES

O=C(NCc1cccn1Cc(cc1)ccc1Cl)NC1(CC(C2)C3)CC3CC2C1

InChI

InChI=1S/C23H28ClN3O/c24-20-5-3-16(4-6-20)15-27-7-1-2-21(27)14-25-22(28)26-23-11-17-8-18(12-23)10-19(9-17)13-23/h1-7,17-19H,8-15H2,(H2,25,26,28)

InChI Key

OKDGGSJVQPHNQM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15141812

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.95

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

5.144

Distribution Coefficient, logD

5.144

Water Solubility, LogSw

-5.75

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

G331-0608 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with G331-0608 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G331-0608?
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What is the minimum amount of G331-0608 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G331-0608
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G331-0608
  • 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 G331-0608 available by request