D177-1137 Screening compound: 3-[(acetyloxy)methyl]-7-[3-(4-nitro-1H-pyrazol-1-yl)propanamido]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

D177-1137 Screening compound: 3-[(acetyloxy)methyl]-7-[3-(4-nitro-1H-pyrazol-1-yl)propanamido]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
D177-1137 Screening compound: 3-[(acetyloxy)methyl]-7-[3-(4-nitro-1H-pyrazol-1-yl)propanamido]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound D177-1137
3-[(acetyloxy)methyl]-7-[3-(4-nitro-1H-pyrazol-1-yl)propanamido]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

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

D177-1137

Molecular Formula

C16H17N5O8S (C16 H17 N5 O8 S)

Compound Name

3-[(acetyloxy)methyl]-7-[3-(4-nitro-1H-pyrazol-1-yl)propanamido]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

IUPAC name

3-[(acetyloxy)methyl]-7-[3-(4-nitro-1H-pyrazol-1-yl)propanamido]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

SMILES

CC(OCC(CSC1C2NC(CCn3ncc([N+]([O-])=O)c3)=O)=C(C(O)=O)N1C2=O)=O

InChI

InChI=1S/C16H17N5O8S/c1-8(22)29-6-9-7-30-15-12(14(24)20(15)13(9)16(25)26)18-11(23)2-3-19-5-10(4-17-19)21(27)28/h4-5,12,15H,2-3,6-7H2,1H3,(H,18,23)(H,25,26)

InChI Key

FGXKCEWQLKCEEP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04045874

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.41

Hydrogen Bond Acceptors Count

16.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

13

Partition Coefficient, logP

-0.861

Distribution Coefficient, logD

-6.487

Water Solubility, LogSw

-1.55

Polar Surface Area

138.872

Acid Dissociation Constant (pKa)

2.44

Base Dissociation Constant (pKb)

1.76

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

43.80

References: we are preparing a list of scientific research reports with D177-1137 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D177-1137?
Check Price and Availability of D177-1137, 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 D177-1137 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D177-1137
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D177-1137
  • 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 D177-1137 available by request