CM3850-3998 Screening compound: 2-{[3-(propan-2-yl)-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-5-yl]formamido}acetamide

CM3850-3998 Screening compound: 2-{[3-(propan-2-yl)-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-5-yl]formamido}acetamide
CM3850-3998 Screening compound: 2-{[3-(propan-2-yl)-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-5-yl]formamido}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound CM3850-3998
2-{[3-(propan-2-yl)-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-5-yl]formamido}acetamide

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

CM3850-3998

Molecular Formula

C13H21N5O2 (C13 H21 N5 O2)

Compound Name

2-{[3-(propan-2-yl)-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-5-yl]formamido}acetamide

IUPAC name

2-{[3-(propan-2-yl)-5H6H7H8H9H-[124]triazolo[43-a]azepin-5-yl]formamido}acetamide

SMILES

CC(C)c1nnc(CCCC2)n1C2C(NCC(N)=O)=O

InChI

InChI=1S/C13H21N5O2/c1-8(2)12-17-16-11-6-4-3-5-9(18(11)12)13(20)15-7-10(14)19/h8-9H,3-7H2,1-2H3,(H2,14,19)(H,15,20)/t9-/m0/s1

InChI Key

GXGBVKQMDWRCEH-VIFPVBQESA-N

MDL Number (MFCD)

MFCD30458721

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

279.34

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

-0.272

Distribution Coefficient, logD

-0.278

Water Solubility, LogSw

-0.67

Polar Surface Area

84.606

Acid Dissociation Constant (pKa)

12.29

Base Dissociation Constant (pKb)

7.62

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

69.23

CM3850-3998 in Drug Discovery

Included in Screening Libraries

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

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with CM3850-3998 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound CM3850-3998?
Check Price and Availability of CM3850-3998, 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 CM3850-3998 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for CM3850-3998
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for CM3850-3998
  • 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 CM3850-3998 available by request