S638-0960 Screening compound: 3-[2-(cyclopropylmethyl)-3-oxo-2H,3H,5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-7-yl]-1-phenylurea

S638-0960 Screening compound: 3-[2-(cyclopropylmethyl)-3-oxo-2H,3H,5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-7-yl]-1-phenylurea
S638-0960 Screening compound: 3-[2-(cyclopropylmethyl)-3-oxo-2H,3H,5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-7-yl]-1-phenylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound S638-0960
3-[2-(cyclopropylmethyl)-3-oxo-2H,3H,5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-7-yl]-1-phenylurea

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

S638-0960

Molecular Formula

C18H23N5O2 (C18 H23 N5 O2)

Compound Name

3-[2-(cyclopropylmethyl)-3-oxo-2H,3H,5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-7-yl]-1-phenylurea

IUPAC name

3-[2-(cyclopropylmethyl)-3-oxo-2H3H5H6H7H8H9H-[124]triazolo[43-a]azepin-7-yl]-1-phenylurea

SMILES

O=C(NC(CCC1=NN2CC3CC3)CCN1C2=O)Nc1ccccc1

InChI

InChI=1S/C18H23N5O2/c24-17(19-14-4-2-1-3-5-14)20-15-8-9-16-21-23(12-13-6-7-13)18(25)22(16)11-10-15/h1-5,13,15H,6-12H2,(H2,19,20,24)/t15-/m1/s1

InChI Key

UVPNZCYAYLHBRU-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD31962241

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.449

Distribution Coefficient, logD

2.443

Water Solubility, LogSw

-2.75

Polar Surface Area

67.197

Acid Dissociation Constant (pKa)

14.26

Base Dissociation Constant (pKb)

-1.98

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

S638-0960 in Drug Discovery

Included in Screening Libraries

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with S638-0960 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S638-0960?
Check Price and Availability of S638-0960, 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 S638-0960 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S638-0960
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S638-0960
  • 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 S638-0960 available by request