D072-1171 Screening compound: 4-(4-chlorobenzenesulfonyl)-2-(furan-2-yl)-N-[(oxolan-2-yl)methyl]-1,3-oxazol-5-amine

D072-1171 Screening compound: 4-(4-chlorobenzenesulfonyl)-2-(furan-2-yl)-N-[(oxolan-2-yl)methyl]-1,3-oxazol-5-amine
D072-1171 Screening compound: 4-(4-chlorobenzenesulfonyl)-2-(furan-2-yl)-N-[(oxolan-2-yl)methyl]-1,3-oxazol-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound D072-1171
4-(4-chlorobenzenesulfonyl)-2-(furan-2-yl)-N-[(oxolan-2-yl)methyl]-1,3-oxazol-5-amine

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

D072-1171

Molecular Formula

C18H17ClN2O5S (C18 H17 ClN2 O5 S)

Compound Name

4-(4-chlorobenzenesulfonyl)-2-(furan-2-yl)-N-[(oxolan-2-yl)methyl]-1,3-oxazol-5-amine

IUPAC name

4-(4-chlorobenzenesulfonyl)-2-(furan-2-yl)-N-[(oxolan-2-yl)methyl]-13-oxazol-5-amine

SMILES

O=S(c1c(NCC2OCCC2)oc(-c2ccco2)n1)(c(cc1)ccc1Cl)=O

InChI

InChI=1S/C18H17ClN2O5S/c19-12-5-7-14(8-6-12)27(22,23)18-17(20-11-13-3-1-9-24-13)26-16(21-18)15-4-2-10-25-15/h2,4-8,10,13,20H,1,3,9,11H2/t13-/m1/s1

InChI Key

KABPXXCUZVMOEX-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD04552218

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.86

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.158

Distribution Coefficient, logD

3.158

Water Solubility, LogSw

-3.68

Polar Surface Area

75.234

Acid Dissociation Constant (pKa)

18.03

Base Dissociation Constant (pKb)

-6.28

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.80

D072-1171 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with D072-1171 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D072-1171?
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What is the minimum amount of D072-1171 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D072-1171
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D072-1171
  • 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 D072-1171 available by request