H027-5065 Screening compound: (2R,3R,4S)-3-(acetylamino)-4-{[amino(imino)methyl]amino}-2-[(1R,2R)-1,2,3-trihydroxypropyl]-3,4-dihydro-2H-pyran-6-carboxylic acid

H027-5065 Screening compound: (2R,3R,4S)-3-(acetylamino)-4-{[amino(imino)methyl]amino}-2-[(1R,2R)-1,2,3-trihydroxypropyl]-3,4-dihydro-2H-pyran-6-carboxylic acid
H027-5065 Screening compound: (2R,3R,4S)-3-(acetylamino)-4-{[amino(imino)methyl]amino}-2-[(1R,2R)-1,2,3-trihydroxypropyl]-3,4-dihydro-2H-pyran-6-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound H027-5065
(2R,3R,4S)-3-(acetylamino)-4-{[amino(imino)methyl]amino}-2-[(1R,2R)-1,2,3-trihydroxypropyl]-3,4-dihydro-2H-pyran-6-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

H027-5065

Molecular Formula

C12H20N4O7 (C12 H20 N4 O7)

Compound Name

(2R,3R,4S)-3-(acetylamino)-4-{[amino(imino)methyl]amino}-2-[(1R,2R)-1,2,3-trihydroxypropyl]-3,4-dihydro-2H-pyran-6-carboxylic acid

IUPAC name

(2R3R4S)-4-carbamimidamido-3-acetamido-2-[(1R2R)-123-trihydroxypropyl]-34-dihydro-2H-pyran-6-carboxylic acid

SMILES

CC(N[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)OC(C(O)=O)=C1)[C@H]1NC(N)=N)=O

InChI

InChI=1S/C12H20N4O7/c1-4(18)15-8-5(16-12(13)14)2-7(11(21)22)23-10(8)9(20)6(19)3-17/h2,5-6,8-10,17,19-20H,3H2,1H3,(H,15,18)(H,21,22)(H4,13,14,16)/t5-,6-,8+,9-,10-/m1/s1

InChI Key

ARAIBEBZBOPLMB-OTZKOZDPSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

332.31

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

9.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

-3.255

Distribution Coefficient, logD

-3.255

Water Solubility, LogSw

-0.72

Polar Surface Area

161.939

Acid Dissociation Constant (pKa)

3.27

Base Dissociation Constant (pKb)

10.77

Number of Chiral Centers

5.00

Percent sp3 carbon bonding

58.33

H027-5065 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with H027-5065 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound H027-5065?
Check Price and Availability of H027-5065, 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 H027-5065 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for H027-5065
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for H027-5065
  • 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 H027-5065 available by request