S637-0266 Screening compound: 3-{3-METHYL-5H,6H,7H,8H,9H-[1,2,4]TRIAZOLO[4,3-A]AZEPIN-7-YL}-1-(2-PHENYLETHYL)UREA

S637-0266 Screening compound: 3-{3-METHYL-5H,6H,7H,8H,9H-[1,2,4]TRIAZOLO[4,3-A]AZEPIN-7-YL}-1-(2-PHENYLETHYL)UREA
S637-0266 Screening compound: 3-{3-METHYL-5H,6H,7H,8H,9H-[1,2,4]TRIAZOLO[4,3-A]AZEPIN-7-YL}-1-(2-PHENYLETHYL)UREA alternative view

Chemical Structure Depiction of ChemDiv screening compound S637-0266
3-{3-METHYL-5H,6H,7H,8H,9H-[1,2,4]TRIAZOLO[4,3-A]AZEPIN-7-YL}-1-(2-PHENYLETHYL)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

S637-0266

Molecular Formula

C17H23N5O (C17 H23 N5 O)

Compound Name

3-{3-METHYL-5H,6H,7H,8H,9H-[1,2,4]TRIAZOLO[4,3-A]AZEPIN-7-YL}-1-(2-PHENYLETHYL)UREA

IUPAC name

3-{3-methyl-5H6H7H8H9H-[124]triazolo[43-a]azepin-7-yl}-1-(2-phenylethyl)urea

SMILES

Cc1nnc(CC2)n1CCC2NC(NCCc1ccccc1)=O

InChI

InChI=1S/C17H23N5O/c1-13-20-21-16-8-7-15(10-12-22(13)16)19-17(23)18-11-9-14-5-3-2-4-6-14/h2-6,15H,7-12H2,1H3,(H2,18,19,23)/t15-/m0/s1

InChI Key

UEGATAGANGUIPV-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD29017391

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

313.4

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.857

Distribution Coefficient, logD

0.854

Water Solubility, LogSw

-1.65

Polar Surface Area

60.633

Acid Dissociation Constant (pKa)

16.12

Base Dissociation Constant (pKb)

7.29

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.10

S637-0266 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with S637-0266 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S637-0266?
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What is the minimum amount of S637-0266 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S637-0266
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S637-0266
  • 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 S637-0266 available by request