S636-6178 Screening compound: ethyl 2-{[2-(cyclopropylmethyl)-3-oxo-2H,3H,5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-carbonyl]amino}acetate

S636-6178 Screening compound: ethyl 2-{[2-(cyclopropylmethyl)-3-oxo-2H,3H,5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-carbonyl]amino}acetate
S636-6178 Screening compound: ethyl 2-{[2-(cyclopropylmethyl)-3-oxo-2H,3H,5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-carbonyl]amino}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound S636-6178
ethyl 2-{[2-(cyclopropylmethyl)-3-oxo-2H,3H,5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-carbonyl]amino}acetate

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

S636-6178

Molecular Formula

C15H23N5O4 (C15 H23 N5 O4)

Compound Name

ethyl 2-{[2-(cyclopropylmethyl)-3-oxo-2H,3H,5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-carbonyl]amino}acetate

IUPAC name

ethyl 2-{[2-(cyclopropylmethyl)-3-oxo-2H3H5H6H7H8H9H-[124]triazolo[43-d][14]diazepine-7-carbonyl]amino}acetate

SMILES

CCOC(CNC(N(CCC1=NN2CC3CC3)CCN1C2=O)=O)=O

InChI

InChI=1S/C15H23N5O4/c1-2-24-13(21)9-16-14(22)18-6-5-12-17-20(10-11-3-4-11)15(23)19(12)8-7-18/h11H,2-10H2,1H3,(H,16,22)

InChI Key

BMPRYLUIEUVDJO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32225270

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

337.38

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.600

Distribution Coefficient, logD

0.599

Water Solubility, LogSw

-1.45

Polar Surface Area

81.068

Acid Dissociation Constant (pKa)

15.21

Base Dissociation Constant (pKb)

4.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

73.33

References: we are preparing a list of scientific research reports with S636-6178 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S636-6178?
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What is the minimum amount of S636-6178 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S636-6178
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S636-6178
  • 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 S636-6178 available by request