7645-1638 Screening compound: 5-(3-nitrophenyl)-N-{3-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl}furan-2-carboxamide

7645-1638 Screening compound: 5-(3-nitrophenyl)-N-{3-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl}furan-2-carboxamide
7645-1638 Screening compound: 5-(3-nitrophenyl)-N-{3-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl}furan-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7645-1638
5-(3-nitrophenyl)-N-{3-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl}furan-2-carboxamide

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

7645-1638

Molecular Formula

C27H21N3O5 (C27 H21 N3 O5)

Compound Name

5-(3-nitrophenyl)-N-{3-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl}furan-2-carboxamide

IUPAC name

5-(3-nitrophenyl)-N-{3-[5-(propan-2-yl)-13-benzoxazol-2-yl]phenyl}furan-2-carboxamide

SMILES

CC(C)c(cc1)cc2c1oc(-c1cccc(NC(c3ccc(-c4cccc([N+]([O-])=O)c4)o3)=O)c1)n2

InChI

InChI=1S/C27H21N3O5/c1-16(2)17-9-10-24-22(15-17)29-27(35-24)19-6-3-7-20(13-19)28-26(31)25-12-11-23(34-25)18-5-4-8-21(14-18)30(32)33/h3-16H,1-2H3,(H,28,31)

InChI Key

URYKSZSDIYCCQQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05830417

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.48

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.985

Distribution Coefficient, logD

6.985

Water Solubility, LogSw

-5.76

Polar Surface Area

81.921

Acid Dissociation Constant (pKa)

12.89

Base Dissociation Constant (pKb)

-1.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

References: we are preparing a list of scientific research reports with 7645-1638 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7645-1638?
Check Price and Availability of 7645-1638, 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 7645-1638 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7645-1638
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7645-1638
  • 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 7645-1638 available by request