S638-2771 Screening compound: N-[2-(CYCLOPROPYLMETHYL)-3-OXO-2,5,6,7,8,9-HEXAHYDRO-3H-[1,2,4]TRIAZOLO[4,3-A]AZEPIN-7-YL]-N'-(3-METHOXYBENZYL)-N-METHYLUREA

S638-2771 Screening compound: N-[2-(CYCLOPROPYLMETHYL)-3-OXO-2,5,6,7,8,9-HEXAHYDRO-3H-[1,2,4]TRIAZOLO[4,3-A]AZEPIN-7-YL]-N'-(3-METHOXYBENZYL)-N-METHYLUREA
S638-2771 Screening compound: N-[2-(CYCLOPROPYLMETHYL)-3-OXO-2,5,6,7,8,9-HEXAHYDRO-3H-[1,2,4]TRIAZOLO[4,3-A]AZEPIN-7-YL]-N'-(3-METHOXYBENZYL)-N-METHYLUREA alternative view

Chemical Structure Depiction of ChemDiv screening compound S638-2771
N-[2-(CYCLOPROPYLMETHYL)-3-OXO-2,5,6,7,8,9-HEXAHYDRO-3H-[1,2,4]TRIAZOLO[4,3-A]AZEPIN-7-YL]-N'-(3-METHOXYBENZYL)-N-METHYLUREA

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

S638-2771

Molecular Formula

C21H29N5O3 (C21 H29 N5 O3)

Compound Name

N-[2-(CYCLOPROPYLMETHYL)-3-OXO-2,5,6,7,8,9-HEXAHYDRO-3H-[1,2,4]TRIAZOLO[4,3-A]AZEPIN-7-YL]-N'-(3-METHOXYBENZYL)-N-METHYLUREA

IUPAC name

n/a

SMILES

CN(C(CCC1=NN2CC3CC3)CCN1C2=O)C(NCc1cc(OC)ccc1)=O

InChI

InChI=1S/C21H29N5O3/c1-24(20(27)22-13-16-4-3-5-18(12-16)29-2)17-8-9-19-23-26(14-15-6-7-15)21(28)25(19)11-10-17/h3-5,12,15,17H,6-11,13-14H2,1-2H3,(H,22,27)/t17-/m1/s1

InChI Key

RIHYMDGUSHPHNB-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD29014047

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.520

Distribution Coefficient, logD

2.514

Water Solubility, LogSw

-2.70

Polar Surface Area

66.736

Acid Dissociation Constant (pKa)

15.02

Base Dissociation Constant (pKb)

-1.98

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

57.10

S638-2771 in Drug Discovery

Included in Screening Libraries

PPI Helix Turn 3D-Mimetics Library (71298 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
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S638-2771 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S638-2771?
Check Price and Availability of S638-2771, 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 S638-2771 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S638-2771
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S638-2771
  • 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 S638-2771 available by request